SCHEMBL8006820

SCHEMBL8006820

C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(C(=O)O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 16/20 0.56
SRD5A2 P31213 12/20 0.54

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
SCHEMBL8016931 0.87 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8023100 0.87 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8023739 0.84 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL8023777 0.82 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8895974 0.82 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8018473 0.80 SRD5A2 (0.54) SRD5A1SRD5A2
SCHEMBL8006823 0.80 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8021062 0.80 SRD5A2 (0.51) SRD5A1SRD5A2
SCHEMBL797724 0.79 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8023756 0.79 SRD5A1 (0.52) SRD5A1SRD5A2

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