SCHEMBL8926883

SCHEMBL8926883

CCOC(=O)COCC1C(C)C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.51
SRD5A2 P31213 1/20 0.51

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
SCHEMBL8926893 1.00 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8924908 0.89 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8924911 0.89 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8926297 0.88 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8925093 0.86 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8065272 0.85 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8065275 0.85 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8926450 0.85 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8926443 0.85 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8927207 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed