SCHEMBL7466957

SCHEMBL7466957

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.66
ITGA4 P13612 20/20 0.66

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
SCHEMBL14528619 0.91 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL7054193 0.89 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL7053184 0.88 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL6179028 0.88 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL14528620 0.88 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL14528370 0.87 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL14528455 0.86 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7055164 0.85 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7028232 0.85 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL7056718 0.84 ITGB1 (0.64) 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