SCHEMBL5701009

SCHEMBL5701009

COc1cc(CC(=O)Nc2ccc(CCC(=O)O)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.59
ITGB1 P05556 13/20 0.59
CHEK1 O14757 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
WNT3A P56704 1/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5700938 0.91 ITGA4 (0.52) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL5701018 0.85 ITGB1 (0.65) ITGA4ITGB1MEN1KMT2APOLB
SCHEMBL6136413 0.84 ITGB1 (0.66) ITGA4ITGB1MEN1KMT2A
SCHEMBL7587137 0.84 ITGB1 (0.61) ITGA4ITGB1
SCHEMBL7587157 0.84 ITGB1 (0.61) ITGA4ITGB1
SCHEMBL7646545 0.83 ITGB1 (0.60) ITGA4ITGB1
SCHEMBL7429626 0.82 ITGB1 (0.59) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7387414 0.82 ITGA4 (0.55) ITGA4ITGB1CHEK1MEN1KMT2A
SCHEMBL7561313 0.82 ITGB1 (0.63) ITGA4ITGB1CHEK1MAPT
SCHEMBL7387358 0.81 ITGA4 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
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