SCHEMBL8017251

SCHEMBL8017251

COc1cccc(OC)c1C1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.53
SRD5A2 P31213 4/20 0.53
AR P10275 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
SCHEMBL8023090 0.89 SRD5A2 (0.55) SRD5A1SRD5A2AR
SCHEMBL8006582 0.84 SRD5A1 (0.52) SRD5A1SRD5A2AR
SCHEMBL8017207 0.82 SRD5A1 (0.51) SRD5A1SRD5A2AR
SCHEMBL8023123 0.82 SRD5A1 (0.53) SRD5A1SRD5A2AR
SCHEMBL8084466 0.81 SRD5A2 (0.63) SRD5A1SRD5A2AR
SCHEMBL8084464 0.81 SRD5A2 (0.63) SRD5A1SRD5A2AR
SCHEMBL8016786 0.81 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL8019119 0.80 SRD5A2 (0.56) SRD5A1SRD5A2AR
SCHEMBL8016710 0.79 SRD5A2 (0.64) SRD5A1SRD5A2AR
SCHEMBL8710566 0.78 SRD5A1 (0.55) SRD5A1SRD5A2AR

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
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP claimed