SCHEMBL8926787

SCHEMBL8926787

CC(C)CCC[C@@H](C)[C@H]1C(C)C[C@H]2[C@@H]3C(=O)CC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.59
SRD5A2 P31213 13/20 0.59

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
SCHEMBL8926781 1.00 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8925098 0.85 SRD5A1 (0.78) SRD5A1SRD5A2
SCHEMBL8925094 0.85 SRD5A1 (0.78) SRD5A1SRD5A2
SCHEMBL916981 0.85 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL916982 0.85 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8927283 0.82 SRD5A1 (0.76) SRD5A1SRD5A2
SCHEMBL916924 0.74 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8931534 0.74 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL916926 0.74 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL29566189 0.74 SRD5A1 (1.00) 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