SCHEMBL7424042

SCHEMBL7424042

COc1cc(CC(=O)N(C)c2ccc(C(CC(=O)O)N(C)C(=O)C3CCOCC3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.49
ITGB1 P05556 15/20 0.49
ITGB7 P26010 1/20 0.36
CHEK1 O14757 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7427341 0.89 ITGA4 (0.55) ITGA4ITGB1CHEK1
SCHEMBL7389747 0.88 ITGA4 (0.48) ITGA4ITGB1CHEK1
SCHEMBL7388976 0.88 ITGA4 (0.55) ITGA4ITGB1ITGB7CHEK1MEN1
SCHEMBL7428578 0.88 ITGA4 (0.49) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7422351 0.87 ITGA4 (0.46) ITGA4ITGB1ITGB7CHEK1
SCHEMBL7425519 0.87 ITGA4 (0.54) ITGA4ITGB1ITGB7CHEK1MEN1
SCHEMBL7422723 0.87 ITGA4 (0.54) ITGA4ITGB1ITGB7CHEK1MEN1
SCHEMBL7648845 0.87 ITGA4 (0.54) ITGA4ITGB1ITGB7CHEK1MEN1
SCHEMBL7427395 0.86 ITGA4 (0.52) ITGA4ITGB1ITGB7CHEK1MEN1
SCHEMBL7648745 0.85 ITGA4 (0.52) 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