SCHEMBL4325518

SCHEMBL4325518

CN(C=O)Cc1ccc2[nH]c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)O)cc3)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.56
ITGB7 P26010 19/20 0.56
ITGB1 P05556 18/20 0.56
ITGA2 P17301 1/20 0.44

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
SCHEMBL297496 0.90 ITGA4 (0.46) ITGA4ITGB7ITGB1ITGA2
SCHEMBL181410 0.85 ITGA4 (0.55) ITGA4ITGB7ITGB1ITGA2
SCHEMBL24336796 0.85 ITGA4 (0.55) ITGA4ITGB7ITGB1ITGA2
SCHEMBL4808821 0.85 ITGA4 (0.55) ITGA4ITGB7ITGB1ITGA2
SCHEMBL12123745 0.80 ITGA4 (0.61) ITGA4ITGB7ITGB1
SCHEMBL12123723 0.79 ITGA4 (0.44) ITGA4ITGB7ITGB1
SCHEMBL17117090 0.78 ITGA4 (0.47) ITGA4ITGB7ITGB1
SCHEMBL4814330 0.78 ITGA4 (0.53) ITGA4ITGB7ITGB1
SCHEMBL13819115 0.77 ITGA4 (0.82) ITGA4ITGB7ITGB1
SCHEMBL370307 0.76 ITGA4 (0.64) ITGA4ITGB7ITGB1

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-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 EP disclosed