SCHEMBL7501540

SCHEMBL7501540

CCOC(=O)C=Cc1ccc(NC(=O)c2cccc(NC=NN)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.52
ITGAV P06756 3/20 0.52
ITGA2B P08514 3/20 0.52
ITGB1 P05556 1/20 0.52
ITGB5 P18084 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 4/20 0.43
NPC1 O15118 6/20 0.43
MEN1 O00255 3/20 0.43
NR1H4 Q96RI1 1/20 0.43
RAB9A P51151 5/20 0.42
POLB P06746 3/20 0.42
PKM P14618 2/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7503263 0.89 SMN1; SMN2 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7508067 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501536 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501528 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7510036 0.87 CA12 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501345 0.87 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498899 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7497396 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7496765 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7509256 0.80 ITGB3 (0.52) 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