SCHEMBL7500969

SCHEMBL7500969

O=C(O)/C=C/c1ccc(/C=C/c2cccc(NC3=NCCCN3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.74
ITGAV P06756 16/20 0.74
ITGA2B P08514 15/20 0.74
ITGB1 P05556 7/20 0.74
ITGB5 P18084 7/20 0.74
RHOA P61586 2/20 0.47
SIRT1 Q96EB6 1/20 0.46
PKM P14618 1/20 0.44

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
SCHEMBL7500973 1.00 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500982 0.93 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500989 0.93 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501090 0.89 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501095 0.89 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499443 0.87 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499438 0.87 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495445 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495439 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500485 0.83 ITGB3 (0.64) 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 6 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
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed