SCHEMBL5701003

SCHEMBL5701003

COc1cc(CC(=O)Nc2ccc(C(CC(=O)OC(C)(C)C)NCc3ccccc3)cc2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.66
ITGA4 P13612 16/20 0.66
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ITGB7 P26010 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
SCHEMBL5700964 0.93 ITGB1 (0.64) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL7390857 0.91 ITGB1 (0.77) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL5700884 0.90 ITGB1 (0.62) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700946 0.89 ITGB1 (0.65) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700828 0.89 ITGB1 (0.63) ITGB1ITGA4MEN1KMT2ABCHE
SCHEMBL5700782 0.89 ITGB1 (0.65) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5701046 0.88 ITGB1 (0.64) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700855 0.88 ITGB1 (0.64) ITGB1ITGA4MEN1KMT2AITGB7
Trifluoroacetic Acid SCHEMBL5700822 0.88 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700963 0.87 ITGB1 (0.68) ITGB1ITGA4MEN1KMT2A

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