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SCHEMBL7540159

SCHEMBL7540159

Cc1ccc(NC(=O)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(C/C=C/CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 8/20 0.46
▸ ITGA4 P13612 8/20 0.46
▸ FPR2 P25090 4/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ANPEP P15144 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MMP2 P08253 1/20 0.40

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
SCHEMBL7540162 1.00 ITGB1 (0.46) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7546113 0.94 ITGB1 (0.49) ITGB1ITGA4FPR2MAPTMMP2
SCHEMBL7546106 0.94 ITGB1 (0.49) ITGB1ITGA4FPR2MAPTMMP2
SCHEMBL7539509 0.93 ITGB1 (0.44) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7539506 0.93 ITGB1 (0.44) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7538889 0.92 ITGB1 (0.44) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7538884 0.92 ITGB1 (0.44) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7545874 0.91 ANPEP (0.53) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7545877 0.91 ANPEP (0.53) ITGB1ITGA4FPR2MAPTANPEP
SCHEMBL7545162 0.90 ITGB1 (0.45) ITGB1ITGA4FPR2MAPTANPEP

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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