SCHEMBL7495105

SCHEMBL7495105

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.55
ITGAV P06756 5/20 0.55
ITGA2B P08514 5/20 0.55
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 4/20 0.45
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 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
SCHEMBL7495116 1.00 ITGB3 (0.55) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7496758 0.91 ITGB3 (0.52) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7494348 0.90 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7504211 0.88 ITGB3 (0.69) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7504207 0.88 ITGB3 (0.69) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7510028 0.87 CA12 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7495121 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7498895 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7501528 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7501536 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BSMN1; SMN2LMNA

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