SCHEMBL8726641

SCHEMBL8726641

COc1ccccc1OC(=O)CC[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.53
SRD5A2 P31213 2/20 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
SCHEMBL8726636 1.00 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8725601 0.90 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8725605 0.90 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8723301 0.89 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8723307 0.89 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8722292 0.84 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8722286 0.84 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8722289 0.84 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8018448 0.83 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8721478 0.83 SRD5A1 (0.53) 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
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed