SCHEMBL7429372

SCHEMBL7429372

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NC(N)C(C)=O)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.60
ITGA4 P13612 16/20 0.60
CHEK1 O14757 1/20 0.41
ITGB7 P26010 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
WNT3A P56704 1/20 0.41

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
SCHEMBL7561313 0.92 ITGB1 (0.63) ITGB1ITGA4CHEK1ITGB7
SCHEMBL7419462 0.89 ITGA4 (0.61) ITGB1ITGA4CHEK1ITGB7
SCHEMBL7420865 0.89 ITGA4 (0.61) ITGB1ITGA4CHEK1MEN1KMT2A
SCHEMBL7387358 0.88 ITGA4 (0.62) ITGB1ITGA4CHEK1MEN1KMT2A
SCHEMBL7587157 0.87 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7647698 0.87 ITGB1 (0.61) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7587137 0.87 ITGB1 (0.61) ITGB1ITGA4ITGB7
SCHEMBL7429355 0.87 ITGA4 (0.59) ITGB1ITGA4CHEK1MEN1KMT2A
SCHEMBL7422713 0.87 ITGA4 (0.53) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7646545 0.86 ITGB1 (0.60) ITGB1ITGA4ITGB7

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