SCHEMBL7428775

SCHEMBL7428775

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc(C(CC(=O)O)NS(=O)(=O)c3cccnc3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.56
ITGA4 P13612 19/20 0.56
ITGB7 P26010 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL7391722 0.89 ITGB1 (0.57) ITGB1ITGA4ITGB3ITGAV
SCHEMBL7387966 0.88 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7426579 0.87 ITGB1 (0.56) ITGB1ITGA4
SCHEMBL5700977 0.83 ITGB1 (0.68) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL5700988 0.83 ITGB1 (0.68) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL7649474 0.83 ITGB1 (0.54) ITGB1ITGA4ITGB7
SCHEMBL7430777 0.83 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL7646614 0.81 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7422753 0.81 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7385600 0.81 ITGB1 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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