SCHEMBL7499249

SCHEMBL7499249

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.69
ITGAV P06756 8/20 0.69
ITGA2B P08514 8/20 0.69
ITGB1 P05556 5/20 0.69
ITGB5 P18084 5/20 0.69
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
PARP1 P09874 2/20 0.47
PARP15 Q460N3 2/20 0.47
PARP14 Q460N5 2/20 0.47
PARP10 Q53GL7 2/20 0.47
MAPT P10636 3/20 0.46
GLA P06280 1/20 0.46
CREBBP Q92793 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7499253 1.00 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7494204 0.91 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7494207 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499306 0.84 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499309 0.78 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502133 0.78 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502905 0.78 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498895 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500780 0.78 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500776 0.78 ITGB3 (1.00) 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