SCHEMBL8527387

SCHEMBL8527387

CCC(S)C1C[C@H]2[C@@H]3C(C)CC4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.53
SRD5A2 P31213 9/20 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
SCHEMBL8527603 0.90 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL7903617 0.83 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL917087 0.83 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917025 0.82 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917162 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917432 0.81 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL915553 0.81 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL915495 0.81 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL917935 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917085 0.81 SRD5A1 (0.52) 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-5739137-A 16-substituted-4-aza-3-oxo-androstane as 5-alpha-reductase isozyme 1 inhibitors MERCK & CO., INC. (US) 1998-04-14 US disclosed