SCHEMBL7425511

SCHEMBL7425511

COc1cc(CC(=O)CNc2ccc(C(CC(=O)O)N(C)C(=O)CCC(=O)O)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 15/20 0.51
ITGB1 P05556 14/20 0.51
CHEK1 O14757 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ITGB7 P26010 1/20 0.36

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
SCHEMBL7429626 0.91 ITGB1 (0.59) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7648739 0.89 ITGA4 (0.50) ITGA4ITGB1CHEK1
SCHEMBL7421315 0.88 ITGB1 (0.57) ITGA4ITGB1CHEK1ITGB7
SCHEMBL7425519 0.87 ITGA4 (0.54) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7645719 0.86 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL7427395 0.84 ITGA4 (0.52) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7393712 0.84 ITGA4 (0.53) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7429378 0.84 ITGA4 (0.59) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7421218 0.83 ITGA4 (0.54) ITGA4ITGB1CHEK1ITGB7
SCHEMBL7388971 0.83 ITGA4 (0.54) ITGA4ITGB1CHEK1MEN1KMT2A

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