SCHEMBL7263171

SCHEMBL7263171

COc1cc(CNc2c(N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)C(=O)O)c(=O)c2=O)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.74
ITGA4 P13612 20/20 0.74

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
SCHEMBL7100094 0.87 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7101295 0.86 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL7100593 0.86 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL7104403 0.85 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7099243 0.84 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7263251 0.84 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7102716 0.83 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL7264969 0.82 ITGB1 (0.90) ITGB1ITGA4
SCHEMBL7259459 0.82 ITGB1 (0.86) ITGB1ITGA4
SCHEMBL7194706 0.82 ITGB1 (1.00) 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