SCHEMBL5700947

SCHEMBL5700947

COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.70
ITGA4 P13612 15/20 0.70
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ITGB7 P26010 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 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
SCHEMBL5700952 1.00 ITGB1 (0.70) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5705101 0.94 ITGB1 (0.76) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5705104 0.94 ITGB1 (0.76) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700883 0.92 ITGB1 (0.61) ITGB1ITGA4MEN1KMT2A
SCHEMBL5700888 0.92 ITGB1 (0.61) ITGB1ITGA4MEN1KMT2A
SCHEMBL5700988 0.88 ITGB1 (0.68) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700977 0.88 ITGB1 (0.68) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700872 0.87 ITGB1 (0.66) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5700997 0.86 ITGB1 (0.76) ITGB1ITGA4MEN1KMT2AITGB7
SCHEMBL5701000 0.86 ITGB1 (0.76) 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 2 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