SCHEMBL7646229

SCHEMBL7646229

COC(=O)CCCC(=O)NC(CC(=O)OC)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.59
ITGA4 P13612 20/20 0.59
ITGB7 P26010 1/20 0.54

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
SCHEMBL5701047 1.00 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL5701108 0.87 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL5701102 0.87 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL5700936 0.86 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL5700941 0.86 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL5700859 0.86 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL5700830 0.86 ITGB1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL5700907 0.83 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL5700823 0.82 ITGB1 (0.71) ITGB1ITGA4ITGB7
SCHEMBL5700831 0.82 ITGB1 (0.71) 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 1 patent. 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