SCHEMBL5705104

SCHEMBL5705104

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NS(=O)(=O)c3ccccc3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.76
ITGA4 P13612 16/20 0.76
ITGB7 P26010 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44

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
SCHEMBL5705101 1.00 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700947 0.94 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700952 0.94 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700988 0.93 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700977 0.93 ITGB1 (0.68) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700997 0.92 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701000 0.92 ITGB1 (0.76) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7387237 0.87 ITGB1 (0.73) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701099 0.87 ITGB1 (0.73) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700922 0.87 ITGB1 (0.66) ITGB1ITGA4ITGB7KMT2AALDH1A1

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