SCHEMBL7387237

SCHEMBL7387237

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NCS(C)(=O)=O)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.73
ITGA4 P13612 18/20 0.73
ITGB7 P26010 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5701099 1.00 ITGB1 (0.73) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700872 0.94 ITGB1 (0.66) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700997 0.90 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701000 0.90 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7390857 0.90 ITGB1 (0.77) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7430548 0.89 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701041 0.89 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7590987 0.89 ITGA4 (0.62) ITGB1ITGA4MEN1KMT2A
SCHEMBL7588934 0.89 ITGA4 (0.60) ITGB1ITGA4MEN1KMT2A
SCHEMBL7422615 0.88 ITGB1 (0.75) ITGB1ITGA4ITGB7MEN1KMT2A

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