SCHEMBL5701029

SCHEMBL5701029

COC(=O)COCC(=O)N[C@H](CC(=O)OC)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.66
ITGA4 P13612 16/20 0.66
ITGB7 P26010 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.42
P2RX7 Q99572 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
SCHEMBL7390585 1.00 ITGB1 (0.66) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700812 0.93 ITGB1 (0.64) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700814 0.93 ITGB1 (0.64) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7645950 0.91 ITGB1 (0.73) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701014 0.91 ITGB1 (0.73) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700904 0.90 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700900 0.90 ITGB1 (0.70) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5701033 0.90 ITGB1 (0.66) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700823 0.89 ITGB1 (0.71) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL5700831 0.89 ITGB1 (0.71) 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