SCHEMBL5700837

SCHEMBL5700837

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.72
ITGA4 P13612 19/20 0.72
ITGB7 P26010 1/20 0.59
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL5700832 1.00 ITGB1 (0.72) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700941 0.92 ITGB1 (0.63) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700936 0.92 ITGB1 (0.63) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7422753 0.90 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700767 0.89 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700774 0.89 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7427106 0.87 ITGB1 (0.60) ITGB1ITGA4ITGB7
SCHEMBL5701108 0.87 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL5701102 0.87 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL5700839 0.86 ITGB1 (0.63) 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 6 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
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