SCHEMBL7462008

SCHEMBL7462008

C#C[C@@H](CNC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.61
ITGA4 P13612 20/20 0.61

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
SCHEMBL7462589 1.00 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL7461396 0.88 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL14528842 0.88 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7466962 0.88 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL14528457 0.86 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL7053184 0.85 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL6179028 0.85 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL14528620 0.85 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7463792 0.83 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7868458 0.83 ITGB1 (0.57) ITGB1ITGA4

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