SCHEMBL4752928

SCHEMBL4752928

CCS(=O)(=O)NC1CC2(C)OC1(C)C1C(=O)N(c3cccc(C#N)c3C(F)(F)F)C(=O)C12

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.69

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
SCHEMBL26095675 0.89 AR (0.70) AR
SCHEMBL30104279 0.81 AR (1.00) AR
SCHEMBL13872000 0.81 AR (1.00) AR
SCHEMBL13481661 0.81 AR (1.00) AR
SCHEMBL3181633 0.81 AR (1.00) AR
SCHEMBL23844286 0.81 AR (1.00) AR
SCHEMBL3183275 0.81 AR (1.00) AR
SCHEMBL26448217 0.80 AR (0.57) AR
SCHEMBL7178500 0.79 AR (0.47) AR
SCHEMBL14075769 0.77 AR (0.77) AR

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
WO-2008157291-A2 CRYSTALLINE FORMS OF (3Aα, 4β, 5α, 7β, 7Aα)-4-(OCTAHYDRO-5-ETHYLSULFONAMIDO-4,7-DIMETHYL-1,3-DIOXO-4,7-EPOXY-2H-ISOINDOL-2-YL)-2-(TRIFLUOROMETHYL)BENZONITRILE AND METHOD OF PREPARATION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 — — WO disclosed
Send feedback