SCHEMBL5700767

SCHEMBL5700767

COc1cc(CC(=O)Nc2ccc([C@@H](CC(=O)O)NC(=O)c3ccccc3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.76
ITGA4 P13612 17/20 0.76
ITGB7 P26010 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL5700774 1.00 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700895 0.96 ITGA4 (0.72) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700892 0.96 ITGA4 (0.72) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700821 0.94 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700827 0.94 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
Trolamine SCHEMBL5701155 0.94 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700856 0.94 ITGB1 (0.71) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700846 0.94 ITGB1 (0.71) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700770 0.93 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700783 0.93 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP claimed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US claimed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP claimed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO claimed
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