SCHEMBL8662553

SCHEMBL8662553

COc1csc(CC(C)(C)NC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C=C(C#N)CC[C@]5(C)[C@H]4CC[C@]23C)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 12/20 0.53
SRD5A1 P18405 6/20 0.53
ESR1 P03372 1/20 0.37
AR P10275 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL8632144 0.84 SRD5A2 (0.59) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8634278 0.82 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8634149 0.82 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8630741 0.82 SRD5A2 (0.58) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8634494 0.82 SRD5A2 (0.77) SRD5A2SRD5A1
SCHEMBL8634404 0.79 SRD5A2 (0.56) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8633572 0.78 SRD5A2 (0.57) SRD5A2SRD5A1
SCHEMBL8634462 0.78 SRD5A2 (0.57) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8915306 0.78 SRD5A2 (0.58) SRD5A2SRD5A1ESR1ARESR2
SCHEMBL8630137 0.77 SRD5A2 (0.56) 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
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed