SCHEMBL5700969

SCHEMBL5700969

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1[S+](C)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.48
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48
ITGA5 P08648 1/20 0.48
ITGA4 P13612 9/20 0.46
DDX3X O00571 1/20 0.46
HPGD P15428 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5155328 0.85 ITGB1 (0.57) ITGB1ITGB3ITGAVITGA5ITGA4
SCHEMBL5156432 0.80 ITGB1 (0.52) ITGB1ITGB3ITGAVITGA5ITGA4
SCHEMBL5156956 0.80 ITGB1 (0.52) ITGB1ITGB3ITGAVITGA5ITGA4
SCHEMBL5700972 0.79 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL5700975 0.79 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL4683165 0.78 ITGA4 (0.67) ITGB1ITGB3ITGAVITGA5ITGA4
SCHEMBL5700810 0.78 ITGB1 (0.50) ITGB1ITGB3ITGAVITGA5ITGA4
SCHEMBL5700960 0.78 MEN1 (0.51) ITGB1ITGB3ITGAVITGA5ITGA4
SCHEMBL29612679 0.77 ITGB1 (0.67) ITGB1ITGB3ITGAVITGA5ITGA4
SCHEMBL3485567 0.77 ITGB1 (0.67) ITGB1ITGB3ITGAVITGA5ITGA4

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-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed