SCHEMBL7259735

SCHEMBL7259735

CCCNc1c(NC(Cc2ccc(N)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.65
ITGA4 P13612 19/20 0.65
APP P05067 1/20 0.47

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
SCHEMBL7259731 1.00 ITGB1 (0.65) ITGB1ITGA4APP
SCHEMBL7718508 0.88 ITGB1 (0.77) ITGB1ITGA4APP
SCHEMBL7259912 0.84 ITGB1 (0.66) ITGB1ITGA4APP
SCHEMBL7259905 0.84 ITGB1 (0.66) ITGB1ITGA4APP
SCHEMBL7107382 0.80 ITGB1 (0.70) ITGB1ITGA4
SCHEMBL7105527 0.80 ITGB1 (0.63) ITGB1ITGA4APP
SCHEMBL7100845 0.80 ITGB1 (0.63) ITGB1ITGA4APP
SCHEMBL7102732 0.79 ITGB1 (1.00) ITGB1ITGA4APP
SCHEMBL7098932 0.79 ITGB1 (0.74) ITGB1ITGA4
SCHEMBL7102735 0.79 ITGB1 (1.00) ITGB1ITGA4APP

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