SCHEMBL7547334

SCHEMBL7547334

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 3/20 0.45
▸ NPY1R P25929 2/20 0.45
▸ NPY2R P49146 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ FOLH1 Q04609 1/20 0.43
▸ ITGB1 P05556 7/20 0.43
▸ ITGA4 P13612 7/20 0.43
▸ ANPEP P15144 1/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ NPY5R Q15761 1/20 0.41

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
SCHEMBL7541953 0.94 ITGB1 (0.47) MAPTITGB1ITGA4
SCHEMBL7545162 0.93 ITGB1 (0.45) MAPTITGB1ITGA4ANPEPFPR2
SCHEMBL7538590 0.92 GRN (0.45) MAPTFOLH1ITGB1ITGA4ANPEP
SCHEMBL7543913 0.91 ANPEP (0.54) MAPTITGB1ITGA4ANPEPFPR2
SCHEMBL7544863 0.91 ITGB1 (0.41) NPY4RMAPTFOLH1ITGB1ITGA4
SCHEMBL7544936 0.91 ITGB1 (0.41) NPY4RMAPTFOLH1ITGB1ITGA4
SCHEMBL7539509 0.90 ITGB1 (0.44) MAPTFOLH1ITGB1ITGA4ANPEP
SCHEMBL7542806 0.90 ITGB1 (0.44) MAPTFOLH1ITGB1ITGA4ANPEP
SCHEMBL7540980 0.90 FOLH1 (0.43) MAPTFOLH1ITGB1ITGA4ANPEP
SCHEMBL7539506 0.90 ITGB1 (0.44) MAPTFOLH1ITGB1ITGA4ANPEP

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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