SCHEMBL8996749

SCHEMBL8996749

Cc1ccc(O)cc1C1CC[C@H]2[C@@H]3C(C)CC4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 16/20 0.54
SRD5A2 P31213 7/20 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
SCHEMBL8996701 0.82 SRD5A2 (0.50) SRD5A1SRD5A2
SCHEMBL4265542 0.79 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL4265535 0.79 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL4278336 0.79 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8096293 0.78 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8096297 0.78 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8851925 0.77 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8006812 0.77 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8016888 0.77 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8851927 0.77 SRD5A1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed