SCHEMBL8159403

SCHEMBL8159403

COc1ccc(C(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.76
SRD5A2 P31213 8/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
HSD3B1 P14060 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
BLM P54132 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8159405 1.00 SRD5A1 (0.76) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8156578 0.90 SRD5A1 (0.75) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8158172 0.90 SRD5A1 (0.75) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8159695 0.90 SRD5A2 (0.68) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8159693 0.90 SRD5A2 (0.68) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8156577 0.90 SRD5A1 (0.75) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8158173 0.90 SRD5A1 (0.75) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8006821 0.89 SRD5A1 (0.76) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8160706 0.89 SRD5A1 (0.75) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8926220 0.89 SRD5A1 (0.65) SRD5A1SRD5A2LMNACYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
US-5098908-A 17β-hydroxybenzoyl-4-aza-5α-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO., INC. (US) 1992-03-24 US disclosed
EP-0462661-A2 Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 EP disclosed