SCHEMBL7417067

SCHEMBL7417067

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)C(=O)c3ccc(C(=O)O)cc3)nc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.48
ITGB1 P05556 10/20 0.48
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7426813 0.96 ITGA4 (0.49) ITGA4ITGB1SMN1; SMN2
SCHEMBL7587960 0.94 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2
SCHEMBL7388434 0.91 ITGA4 (0.51) ITGA4ITGB1SMN1; SMN2
SCHEMBL7386088 0.89 ITGA4 (0.49) ITGA4ITGB1
SCHEMBL7386634 0.89 ITGA4 (0.49) ITGA4ITGB1
SCHEMBL7387974 0.89 ITGA4 (0.46) ITGA4ITGB1
SCHEMBL7475927 0.88 ITGA4 (0.48) ITGA4ITGB1
SCHEMBL7378504 0.88 ITGA4 (0.59) ITGA4ITGB1SMN1; SMN2
SCHEMBL7649631 0.88 ITGA4 (0.46) ITGA4ITGB1
SCHEMBL7427485 0.88 ITGA4 (0.48) ITGA4ITGB1SMN1; SMN2

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