SCHEMBL7385307

SCHEMBL7385307

COCCOCC(=O)NC(CC(=O)O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.57
ITGA4 P13612 20/20 0.57
ITGB7 P26010 1/20 0.56

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
SCHEMBL7423364 0.90 ITGB1 (0.57) ITGB1ITGA4ITGB7
SCHEMBL7422753 0.87 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7385600 0.87 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7646614 0.87 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7430777 0.87 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL7388628 0.86 ITGB1 (0.55) ITGB1ITGA4ITGB7
SCHEMBL7646597 0.85 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL7423736 0.85 ITGB1 (0.58) ITGB1ITGA4ITGB7
SCHEMBL7389112 0.84 ITGB1 (0.60) ITGB1ITGA4ITGB7
SCHEMBL5700868 0.83 ITGB1 (0.70) 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 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