SCHEMBL7496705

SCHEMBL7496705

COc1cc(C=CC(=O)O)ccc1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.69
ITGAV P06756 10/20 0.69
ITGA2B P08514 10/20 0.69
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ITGB1 P05556 4/20 0.49
ITGB5 P18084 4/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.48
STAT1 P42224 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7496697 1.00 ITGB3 (0.69) ITGB3ITGAVITGA2BPKMSMN1; SMN2
SCHEMBL7502905 0.87 ITGB3 (0.68) ITGB3ITGAVITGA2BPKMITGB1
SCHEMBL7502133 0.87 ITGB3 (0.68) ITGB3ITGAVITGA2BPKMITGB1
SCHEMBL7496711 0.86 ITGB3 (0.67) ITGB3ITGAVITGA2BPKMSMN1; SMN2
SCHEMBL7504211 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2BPKMSMN1; SMN2
SCHEMBL7504207 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2BPKMSMN1; SMN2
SCHEMBL7500870 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BPKMSMN1; SMN2
SCHEMBL7499768 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BPKMITGB1
SCHEMBL7507092 0.85 ITGB3 (0.68) ITGB3ITGAVITGA2BPKMSMN1; SMN2
SCHEMBL7498586 0.82 ITGB3 (0.69) 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