SCHEMBL7499696

SCHEMBL7499696

NN=CNc1cccc(C(=O)Nc2cc(Cl)c(C=CC(=O)O)c(Cl)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.67
ITGAV P06756 8/20 0.67
ITGA2B P08514 8/20 0.67
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ITGB1 P05556 4/20 0.45
ITGB5 P18084 4/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LPAR3 Q9UBY5 1/20 0.43
NPC1 O15118 3/20 0.42
MCL1 Q07820 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL7500866 0.88 ITGB3 (0.67) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL7497491 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL7497495 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL7506889 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL7500879 0.83 ITGB3 (0.66) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL7502056 0.82 ITGB3 (0.53) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL7499309 0.81 ITGB3 (0.56) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL8441149 0.81 PKM (0.47) ITGB3ITGAVITGA2BPKMITGB1
SCHEMBL7499421 0.80 ITGB3 (0.67) ITGB3ITGAVITGA2BPKML3MBTL1
SCHEMBL7501345 0.80 ITGB3 (0.67) ITGB3ITGAVITGA2BPKMITGB1

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