SCHEMBL8006797

SCHEMBL8006797

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)Oc5cccc(C(C)(C)C)c5)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.55
SRD5A1 P18405 1/20 0.55

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
SCHEMBL8007056 0.91 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8017001 0.89 SRD5A1 (0.57) SRD5A2SRD5A1
SCHEMBL8020706 0.87 SRD5A2 (0.46) SRD5A2SRD5A1
SCHEMBL8006565 0.84 SRD5A1 (0.63) SRD5A2SRD5A1
SCHEMBL8019104 0.84 SRD5A2 (0.55) SRD5A2SRD5A1
SCHEMBL8006801 0.81 SRD5A2 (0.58) SRD5A2SRD5A1
SCHEMBL9022920 0.81 SRD5A2 (0.55) SRD5A2SRD5A1
SCHEMBL9022925 0.81 SRD5A2 (0.55) SRD5A2SRD5A1
SCHEMBL8018448 0.81 SRD5A1 (0.58) SRD5A2SRD5A1
SCHEMBL8007035 0.80 SRD5A1 (0.57) SRD5A2SRD5A1

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