SCHEMBL7494348

SCHEMBL7494348

CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc(NC(=N)N)c2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGAV P06756 8/20 0.51
ITGA2B P08514 8/20 0.51
ITGB1 P05556 2/20 0.51
ITGB5 P18084 2/20 0.51
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
DHODH Q02127 1/20 0.42
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL7496758 0.91 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495116 0.90 ITGB3 (0.55) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7495105 0.90 ITGB3 (0.55) ITGB3ITGAVITGA2BMAPTALDH1A1
SCHEMBL7494353 0.87 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7510028 0.86 CA12 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7507092 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500870 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498895 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501528 0.79 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501536 0.79 ITGB3 (0.54) 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