SCHEMBL5700941

SCHEMBL5700941

COC(=O)CC(NC(=O)c1ccccc1)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.63
ITGA4 P13612 18/20 0.63
ITGB7 P26010 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL5700936 1.00 ITGB1 (0.63) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700837 0.92 ITGB1 (0.72) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700832 0.92 ITGB1 (0.72) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700827 0.91 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700821 0.91 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701047 0.86 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL7646229 0.86 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL5700959 0.86 ITGB1 (0.54) ITGB1ITGA4ITGB7
SCHEMBL5700956 0.85 ITGB1 (0.64) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700962 0.85 ITGB1 (0.64) ITGB1ITGA4ITGB7MEN1KMT2A

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