SCHEMBL7425519

SCHEMBL7425519

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)C(=O)CCC(=O)O)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.54
ITGB1 P05556 16/20 0.54
ITGB7 P26010 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL7427395 0.96 ITGA4 (0.52) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7422723 0.93 ITGA4 (0.54) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7388976 0.93 ITGA4 (0.55) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7648845 0.91 ITGA4 (0.54) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7422867 0.89 ITGA4 (0.51) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7648745 0.89 ITGA4 (0.52) ITGA4ITGB1ITGB7
SCHEMBL7429626 0.89 ITGB1 (0.59) ITGA4ITGB1MEN1KMT2ACHEK1
SCHEMBL7421234 0.89 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL7536442 0.88 ITGA4 (0.54) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL7427051 0.88 ITGB1 (0.55) ITGA4ITGB1ITGB7

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