SCHEMBL7472953

SCHEMBL7472953

CSCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.51
ITGA4 P13612 17/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ITGB7 P26010 1/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44

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
SCHEMBL13768576 0.89 ITGB1 (0.51) ITGB1ITGA4NPC1RAB9AITGB7
SCHEMBL7465195 0.88 RAB9A (0.49) NPC1RAB9AITGB3ITGA2B
SCHEMBL7467419 0.86 NPC1 (0.49) ITGB1ITGA4NPC1RAB9A
SCHEMBL7467289 0.86 RAB9A (0.51) NPC1RAB9AITGB3ITGA2B
SCHEMBL7461669 0.86 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL7472777 0.84 ITGB1 (0.53) ITGB1ITGA4NPC1RAB9AITGB7
SCHEMBL13764392 0.83 RAB9A (0.48) ITGB1ITGA4NPC1RAB9AITGB7
SCHEMBL13764401 0.82 ITGB1 (0.46) ITGB1ITGA4NPC1RAB9AITGB7
SCHEMBL13764391 0.82 RAB9A (0.47) ITGB1ITGA4NPC1RAB9AITGB7
SCHEMBL3135704 0.82 RAB9A (0.49) ITGB1ITGA4NPC1RAB9AITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed