SCHEMBL7647707

SCHEMBL7647707

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)S(=O)(=O)C3=NCN(C)C3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.48
ITGB1 P05556 17/20 0.48
ITGB7 P26010 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL7425612 0.90 ITGA4 (0.53) ITGA4ITGB1CHEK1
SCHEMBL7386363 0.89 ITGA4 (0.48) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7418603 0.89 ITGA4 (0.45) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7645880 0.89 ITGA4 (0.49) ITGA4ITGB1ITGB7
SCHEMBL7536442 0.88 ITGA4 (0.54) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7417458 0.86 ITGA4 (0.49) ITGA4ITGB1ITGB7
SCHEMBL7647704 0.85 ITGA4 (0.47) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7422320 0.84 ITGA4 (0.56) ITGA4ITGB1
SCHEMBL7388976 0.84 ITGA4 (0.55) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7648845 0.82 ITGA4 (0.54) ITGA4ITGB1ITGB7CHEK1

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