SCHEMBL5701102

SCHEMBL5701102

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc([C@@H](CC(=O)O)NC(=O)CCCC(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.69
ITGA4 P13612 20/20 0.69
ITGB7 P26010 1/20 0.59

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
SCHEMBL5701108 1.00 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL7646597 0.90 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL5700889 0.89 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL5700893 0.89 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL7651606 0.88 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL5701047 0.87 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL7646229 0.87 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL5700837 0.87 ITGB1 (0.72) ITGB1ITGA4ITGB7
SCHEMBL5700832 0.87 ITGB1 (0.72) ITGB1ITGA4ITGB7
SCHEMBL5700859 0.84 ITGB1 (0.69) ITGB1ITGA4ITGB7

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 claimed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US claimed
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