SCHEMBL8083978

SCHEMBL8083978

CSc1ccc([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 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.53
SRD5A2 P31213 1/20 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
SCHEMBL8019110 0.85 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8018770 0.85 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8092348 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8098767 0.80 HSD17B7 (0.48) SRD5A1SRD5A2
SCHEMBL8024006 0.79 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8016761 0.78 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8007081 0.77 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8075628 0.76 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8075630 0.76 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL14046283 0.76 SRD5A1 (0.65) 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-0756481-B1 17$g(b)-ARYL-4-AZA-STEROID DERIVATIVES MERCK & CO INC (US) 2000-12-27 EP disclosed
US-5525608-A ANTIACNE AGENT, SKIN DISORDERS, GLANDULAR DISORDERS MERCK & CO., INC. (US) 1996-06-11 US disclosed