SCHEMBL8801973

SCHEMBL8801973

CC(C)(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(OC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 11/20 0.58
SRD5A1 P18405 5/20 0.58
ESR1 P03372 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL8803459 0.88 SRD5A2 (0.64) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8801969 0.88 SRD5A2 (0.76) SRD5A2SRD5A1
SCHEMBL8394055 0.87 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL9015172 0.83 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL8802576 0.81 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL8914483 0.80 SRD5A2 (0.61) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8802546 0.79 SRD5A2 (0.53) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8913873 0.79 SRD5A2 (0.59) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8803098 0.79 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8915278 0.78 SRD5A2 (0.62) SRD5A2SRD5A1ESR1ARESR2

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-0540717-B1 UNSATURATED 17$g(b)-SUBSTITUTED 3-CARBOXY STEROIDS PHARMACIA & UPJOHN SPA (IT) 1997-07-23 EP claimed