SCHEMBL8006815

SCHEMBL8006815

CC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(C(=O)O)CC[C@H]3[C@H]12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.60
SRD5A2 P31213 9/20 0.60
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
HSD3B1 P14060 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL8006812 1.00 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8016888 1.00 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8851927 0.92 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8851925 0.92 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8477552 0.89 SRD5A1 (0.58) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8477548 0.89 SRD5A1 (0.58) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4278336 0.86 SRD5A1 (0.66) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4265542 0.86 SRD5A1 (0.66) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4265535 0.86 SRD5A1 (0.66) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8016968 0.85 SRD5A1 (0.58) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP claimed
EP-0664812-A4 17 -g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5-g(a)-ANDROSTANE-3-ONES. MERCK & CO INC (US) 1995-10-25 EP claimed
EP-0664812-A1 17 $g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5$g(a)-ANDROSTANE-3-ONES MERCK & CO. INC. (US) 1995-08-02 EP claimed
WO-1994007860-A1 17 β-ARYL ESTER CARBOXYLATES OF 4-AZA-5α-ANDROSTANE-3-ONES MERCK & CO., INC. (US) 1994-04-14 WO claimed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US claimed
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP disclosed
US-5998427-A REDUCTASE INHIBITOR GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
EP-0783001-B1 Androstenones GLAXO WELLCOME INC (US) 1999-11-17 EP disclosed
US-5977126-A ANTIANGROGENS, ENZYME INHBITORS GLAXO WELLCOME INC. (US) 1999-11-02 US disclosed
US-5817818-A THERAPY OF ANDROGEN RESPONSIVE DISEASES GLAXO WELLCOME INC. (US) 1998-10-06 US disclosed
EP-0719277-B1 ANDROSTENONES GLAXO WELLCOME INC (US) 1997-12-17 EP disclosed
EP-0783001-A1 Androstenones GLAXO WELLCOME INC. (US) 1997-07-09 EP disclosed
EP-0719277-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1996-07-03 EP disclosed
EP-0664812-A4 17 -g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5-g(a)-ANDROSTANE-3-ONES. MERCK & CO INC (US) 1995-10-25 EP disclosed
EP-0664812-A1 17 $g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5$g(a)-ANDROSTANE-3-ONES MERCK & CO. INC. (US) 1995-08-02 EP disclosed
WO-1995007926-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1995-03-23 WO disclosed
WO-1994007860-A1 17 β-ARYL ESTER CARBOXYLATES OF 4-AZA-5α-ANDROSTANE-3-ONES MERCK & CO., INC. (US) 1994-04-14 WO disclosed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US disclosed