SCHEMBL9270735

SCHEMBL9270735

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=O)/C=C/c2cccc(Cl)c2)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 13/20 0.69
▸ ABCB1 P08183 5/20 0.52

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
SCHEMBL9271003 0.90 ABCC9 (0.63) ABCC9ABCB1
SCHEMBL9269167 0.90 ABCC9 (0.63) ABCC9ABCB1
SCHEMBL9274193 0.84 ABCC9 (0.61) ABCC9ABCB1
SCHEMBL9275133 0.81 ABCC9 (0.74) ABCC9ABCB1
SCHEMBL10888766 0.79 ABCC9 (0.71) ABCC9ABCB1
SCHEMBL9273379 0.78 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9532318 0.78 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9273375 0.78 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9273381 0.78 ABCC9 (0.78) ABCC9ABCB1
SCHEMBL9532337 0.78 ABCC9 (0.78) 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 4 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
US-5453421-A Aryl and heterocyclic substituted propenamide derivatives E. R. SQUIBB & SONS, INC. (US) 1995-09-26 — — US 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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