SCHEMBL9664703

SCHEMBL9664703

CC(C)CNC(=O)NC(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.63
SRD5A1 P18405 3/20 0.61
AR P10275 1/20 0.61

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
SCHEMBL9213222 0.86 SRD5A2 (0.60) SRD5A2SRD5A1AR
SCHEMBL9213209 0.86 SRD5A2 (0.60) SRD5A2SRD5A1AR
SCHEMBL9215708 0.83 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL9215700 0.83 SRD5A2 (0.64) SRD5A2SRD5A1AR
SCHEMBL7557323 0.82 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL14626956 0.82 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL8157938 0.81 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL12423996 0.81 SRD5A2 (0.65) SRD5A2SRD5A1AR
SCHEMBL8777103 0.81 SRD5A2 (0.68) SRD5A2SRD5A1AR
SCHEMBL9129103 0.81 SRD5A2 (0.68) SRD5A2SRD5A1AR

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-0468012-A1 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-01-29 EP disclosed