SCHEMBL8570744

SCHEMBL8570744

CCC(C)=C1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.53
SRD5A2 P31213 6/20 0.53

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
SCHEMBL7380740 1.00 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8099549 0.83 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL7897448 0.83 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8725586 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8725589 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8725591 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8680324 0.79 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL9486929 0.78 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7909909 0.78 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7909915 0.78 SRD5A1 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763361-A 17-alkyl-7-substituted-4-aza steroid derivatives as 5-α-reductase inhibitors MERCK & CO., INC. (US) 1998-06-09 US disclosed