SCHEMBL5700918

SCHEMBL5700918

COc1cc(CC(=O)Nc2ccc([C@@H](CC(=O)O)NC(=O)c3cccnn3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.68
ITGA4 P13612 18/20 0.68
ITGB7 P26010 1/20 0.49
CTSA P10619 2/20 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
SCHEMBL7384904 1.00 ITGB1 (0.68) ITGB1ITGA4ITGB7CTSA
SCHEMBL5700804 0.94 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7388873 0.90 ITGB1 (0.58) ITGB1ITGA4ITGB7CTSA
SCHEMBL7423979 0.90 ITGB1 (0.56) ITGB1ITGA4ITGB7CTSA
SCHEMBL7419346 0.90 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL5700839 0.90 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL5700774 0.88 ITGB1 (0.76) ITGB1ITGA4ITGB7
SCHEMBL5700767 0.88 ITGB1 (0.76) ITGB1ITGA4ITGB7
SCHEMBL5700882 0.88 ITGB1 (0.69) ITGB1ITGA4ITGB7CTSA
SCHEMBL5700887 0.88 ITGB1 (0.69) ITGB1ITGA4ITGB7CTSA

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