SCHEMBL9271003

SCHEMBL9271003

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)/C=C\c2ccccc2)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 10/20 0.63
▸ ABCB1 P08183 9/20 0.59

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
SCHEMBL9269167 1.00 ABCC9 (0.63) ABCC9ABCB1
SCHEMBL9274193 0.90 ABCC9 (0.61) ABCC9ABCB1
SCHEMBL9270735 0.90 ABCC9 (0.69) ABCC9ABCB1
SCHEMBL10888766 0.83 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL3298509 0.82 ABCC9 (0.87) ABCC9ABCB1
SCHEMBL8342992 0.82 ABCC9 (0.87) ABCC9ABCB1
SCHEMBL3298515 0.82 ABCC9 (0.87) ABCC9ABCB1
SCHEMBL9218809 0.82 ABCC9 (0.87) ABCC9ABCB1
SCHEMBL8343004 0.82 ABCC9 (0.87) ABCC9ABCB1
SCHEMBL3298519 0.82 ABCC9 (0.87) ABCC9ABCB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453421-A Aryl and heterocyclic substituted propenamide derivatives E. R. SQUIBB & SONS, INC. (US) 1995-09-26 — — US claimed
EP-0587188-A2 Aryl and heterocyclic substituted propenamide derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 — — EP claimed
JP-6211761-A — — None — — JP disclosed
US-5453421-A Aryl and heterocyclic substituted propenamide derivatives E. R. SQUIBB & SONS, INC. (US) 1995-09-26 — — US disclosed
JP-H06211761-A ARYL AND HETEROCYCLIC SUBSTITUTED PROPENAMIDE DERIVATIVES E R SQUIBB & SONS INC 1994-08-02 — — JP disclosed
EP-0587188-A2 Aryl and heterocyclic substituted propenamide derivatives E.R. SQUIBB & SONS, INC. (US) 1994-03-16 — — EP disclosed
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