SCHEMBL7499306

SCHEMBL7499306

Cc1cc(/C=C/C(=O)O)cc(Cl)c1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.58
ITGAV P06756 13/20 0.58
ITGA2B P08514 13/20 0.58
ITGB1 P05556 8/20 0.58
ITGB5 P18084 8/20 0.58
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PARP1 P09874 2/20 0.41
PARP15 Q460N3 2/20 0.41
PARP14 Q460N5 2/20 0.41
PARP10 Q53GL7 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
CREBBP Q92793 1/20 0.40

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
SCHEMBL7494204 0.93 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499309 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499253 0.84 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499249 0.84 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500870 0.82 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502905 0.82 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502133 0.82 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7507092 0.82 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541966 0.81 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498895 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5

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
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed