SCHEMBL8006565

SCHEMBL8006565

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

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.63
SRD5A2 P31213 1/20 0.60

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
SCHEMBL8017001 0.92 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8007056 0.90 SRD5A2 (0.57) SRD5A1SRD5A2
SCHEMBL4177486 0.88 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL4177481 0.88 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8018448 0.87 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL5214292 0.86 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL7080752 0.86 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL5214282 0.86 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL13954850 0.86 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL13403482 0.86 SRD5A1 (0.69) 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-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
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-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US disclosed