SCHEMBL7467201

SCHEMBL7467201

COc1ccc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccc(NC(=O)Nc3ccccn3)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.51
ITGA4 P13612 13/20 0.51
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ITGB3 P05106 2/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
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
SCHEMBL7687421 1.00 ITGB1 (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7468112 0.92 ITGB3 (0.50) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7472719 0.89 ITGB1 (0.49) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7467434 0.89 ITGB1 (0.50) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7467369 0.87 ITGB1 (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7467208 0.87 ITGB1 (0.42) ITGB1ITGA4POLB
SCHEMBL7465560 0.87 ITGB1 (0.42) ITGB1ITGA4POLB
SCHEMBL7463859 0.86 ITGB1 (0.55) ITGB1ITGA4POLBSMN1; SMN2ITGB7
SCHEMBL7470973 0.79 ANPEP (0.46) ITGB1ITGA4POLBSMN1; SMN2
SCHEMBL7214822 0.79 ANPEP (0.46) ITGB1ITGA4POLBSMN1; SMN2

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