SCHEMBL4635982

SCHEMBL4635982

CCSc1ccc(OC2C[C@H]3[C@@H]4C(C)CC5N(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 12/20 0.44
SRD5A2 P31213 9/20 0.44

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
SCHEMBL917400 0.91 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL917785 0.90 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL918119 0.90 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL917290 0.89 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL917805 0.88 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL917798 0.88 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL917053 0.87 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL917242 0.87 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL916849 0.87 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL916570 0.85 SRD5A1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734963-A4 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO INC (US) 2008-06-18 EP disclosed
EP-1734963-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS Merck & Co., Inc. (US) 2006-12-27 EP disclosed
WO-2005097127-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO., INC. (US) 2005-10-20 WO disclosed