SCHEMBL8016935

SCHEMBL8016935

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(C(=O)O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.48
SRD5A2 P31213 2/20 0.48
HSD17B7 P56937 1/20 0.47

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
SCHEMBL8007059 0.89 HSD17B7 (0.49) SRD5A1SRD5A2HSD17B7
SCHEMBL8006792 0.86 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8020711 0.86 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL8023658 0.82 SRD5A1 (0.51) SRD5A1SRD5A2HSD17B7
SCHEMBL8006805 0.82 SRD5A2 (0.49) SRD5A1SRD5A2
SCHEMBL8006568 0.80 SRD5A1 (0.58) SRD5A1SRD5A2HSD17B7
SCHEMBL8017011 0.79 HSD17B7 (0.48) SRD5A1HSD17B7
SCHEMBL8023775 0.79 SRD5A1 (0.53) SRD5A1SRD5A2HSD17B7
SCHEMBL8006797 0.78 SRD5A2 (0.55) SRD5A1SRD5A2
SCHEMBL8023995 0.77 SRD5A1 (0.53) SRD5A1SRD5A2HSD17B7

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 6 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-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 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-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