SCHEMBL14255262

SCHEMBL14255262

CCNCc1ccc2c(c1)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(C)cccc3Cl)C(=O)O)cc1)c(=O)n2C

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.70
ITGA4 P13612 20/20 0.70
ITGB7 P26010 17/20 0.70
ITGA2 P17301 1/20 0.51

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
SCHEMBL13819117 0.95 ITGA4 (0.77) ITGB1ITGA4ITGB7
SCHEMBL4816729 0.93 ITGB1 (0.71) ITGB1ITGA4ITGB7ITGA2
SCHEMBL13819401 0.92 ITGA4 (0.69) ITGB1ITGA4ITGB7
SCHEMBL4814823 0.90 ITGA4 (0.71) ITGB1ITGA4ITGB7
SCHEMBL4811150 0.89 ITGB1 (0.72) ITGB1ITGA4ITGB7ITGA2
SCHEMBL13819151 0.88 ITGA4 (0.65) ITGB1ITGA4ITGB7
SCHEMBL181295 0.88 ITGA4 (0.78) ITGB1ITGA4ITGB7
SCHEMBL10329617 0.88 ITGB1 (0.70) ITGB1ITGA4ITGB7ITGA2
SCHEMBL14255293 0.88 ITGA4 (0.80) ITGB1ITGA4ITGB7
SCHEMBL13819400 0.88 ITGA4 (0.65) ITGB1ITGA4ITGB7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed