Taking into consideration, the role of certain target receptors i.e. ERα (Estrogen receptor), PR (Progesterone receptor), EGFR (Epidermal growth factor receptor) and mTOR (mammalian target of rapamycin) in the initiation and progression of breast cancer, we proposed 23 furanocoumarin compounds having anti-cancer potential. The gene discussed is ESR1; the disease is breast cancer.