SCHEMBL7501528

SCHEMBL7501528

CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.54
ITGAV P06756 3/20 0.54
ITGA2B P08514 3/20 0.54
ITGB1 P05556 1/20 0.54
ITGB5 P18084 1/20 0.54
NPC1 O15118 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 4/20 0.44
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
PLAU P00749 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ESR1 P03372 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
SCHEMBL7501536 1.00 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7510028 0.88 CA12 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7503254 0.88 SMN1; SMN2 (0.42) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7503257 0.88 SMN1; SMN2 (0.42) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502126 0.88 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502130 0.88 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501540 0.87 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499034 0.86 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499040 0.86 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498895 0.84 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 3 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