SCHEMBL5701007

SCHEMBL5701007

CCC(C)OC(=O)CC(CC(=O)O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.74
ITGA4 P13612 18/20 0.74
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB7 P26010 1/20 0.42

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
SCHEMBL5700942 0.91 ITGB1 (0.85) ITGB1ITGA4MEN1KMT2A
SCHEMBL5701001 0.87 ITGB1 (0.72) ITGB1ITGA4MEN1KMT2A
SCHEMBL5700911 0.83 ITGB1 (0.82) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5701030 0.82 ITGA4 (0.69) ITGB1ITGA4
SCHEMBL5700953 0.81 ITGB1 (0.69) ITGB1ITGA4MEN1KMT2A
SCHEMBL5700979 0.81 ITGB1 (0.78) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5701016 0.81 ITGB1 (0.78) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700985 0.80 ITGB1 (0.77) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL7390857 0.80 ITGB1 (0.77) ITGB1ITGA4MEN1KMT2AITGB7
Water SCHEMBL5701072 0.80 ITGB1 (0.77) ITGB1ITGA4MEN1KMT2AITGB7

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