SCHEMBL7263184

SCHEMBL7263184

CCCNc1c(NC(Cc2ccc(NC(=O)c3c(C)cccc3C)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.72
ITGA4 P13612 20/20 0.72
ITGA2 P17301 1/20 0.54
ITGB7 P26010 1/20 0.54

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
SCHEMBL7099962 1.00 ITGB1 (0.72) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7101237 0.89 ITGB1 (0.82) ITGB1ITGA4
SCHEMBL7101244 0.89 ITGB1 (0.82) ITGB1ITGA4
SCHEMBL7194706 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7263425 0.83 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7102778 0.83 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL7105896 0.83 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7102786 0.83 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL7105903 0.83 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL7103667 0.83 ITGB1 (0.67) 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
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 US disclosed