SCHEMBL8724807

SCHEMBL8724807

CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)C(=O)O)C3CC[C@@H]12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.71
SRD5A2 P31213 1/20 0.71

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
SCHEMBL9349878 0.92 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL8021083 0.92 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL4187752 0.92 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL4187755 0.92 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL13604091 0.92 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL9571051 0.89 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL13604098 0.89 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL2376048 0.89 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL11424034 0.88 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL11424038 0.88 SRD5A1 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed