SCHEMBL5701030

SCHEMBL5701030

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)CC(=O)N3CCN(C)CC3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.69
ITGB1 P05556 19/20 0.69

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
SCHEMBL5700953 0.92 ITGB1 (0.69) ITGA4ITGB1
SCHEMBL5700942 0.90 ITGB1 (0.85) ITGA4ITGB1
SCHEMBL7390033 0.87 ITGB1 (0.72) ITGA4ITGB1
Hydrochloric Acid SCHEMBL5701097 0.86 ITGB1 (0.71) ITGA4ITGB1
SCHEMBL7433657 0.86 ITGA4 (0.60) ITGA4ITGB1
SCHEMBL5700923 0.84 ITGB1 (0.68) ITGA4ITGB1
SCHEMBL7645653 0.84 ITGB1 (0.68) ITGA4ITGB1
SCHEMBL5701007 0.82 ITGB1 (0.74) ITGA4ITGB1
SCHEMBL5700911 0.82 ITGB1 (0.82) ITGA4ITGB1
SCHEMBL7425757 0.82 ITGA4 (0.53) ITGA4ITGB1

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 disclosed
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