SCHEMBL7387358

SCHEMBL7387358

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NS(C)(=O)=O)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 15/20 0.62
ITGB1 P05556 14/20 0.62
CHEK1 O14757 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
WNT3A P56704 1/20 0.41
P2RX7 Q99572 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
SCHEMBL7588934 0.92 ITGA4 (0.60) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7393712 0.91 ITGA4 (0.53) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7587157 0.90 ITGB1 (0.61) ITGA4ITGB1P2RX7
SCHEMBL7587137 0.90 ITGB1 (0.61) ITGA4ITGB1P2RX7
SCHEMBL7561313 0.90 ITGB1 (0.63) ITGA4ITGB1CHEK1P2RX7
SCHEMBL7391722 0.89 ITGB1 (0.57) ITGA4ITGB1WNT3A
SCHEMBL5701000 0.89 ITGB1 (0.76) ITGA4ITGB1MEN1KMT2A
SCHEMBL5700997 0.89 ITGB1 (0.76) ITGA4ITGB1MEN1KMT2A
SCHEMBL7420865 0.89 ITGA4 (0.61) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7647698 0.89 ITGB1 (0.61) ITGA4ITGB1MEN1KMT2AP2RX7

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