SCHEMBL7540855

SCHEMBL7540855

CC(C)CC(NC(=O)Cc1ccc(NC(=NC#N)Nc2ccc(O)cc2)cc1)C(=O)NC(CC#CCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.40
▸ FOLH1 Q04609 1/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ ITGB1 P05556 3/20 0.35
▸ ITGA4 P13612 3/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ REN P00797 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34

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
SCHEMBL7547048 0.94 CTSL (0.44) CTSLITGB1ITGA4MAPTACE
SCHEMBL7545083 0.94 P2RX7 (0.40) CTSLITGB1ITGA4MAPTMMP3
SCHEMBL7547249 0.92 ANPEP (0.44) CTSLMAPTMMP3MMP1MMP2
SCHEMBL7544736 0.92 NPY4R (0.42) CTSLFOLH1NPY1RNPY2RNPY4R
SCHEMBL7538222 0.91 CTSL (0.39) CTSLFOLH1NPY1RNPY2RNPY4R
SCHEMBL7540704 0.90 CTSL (0.39) CTSLITGB1ITGA4MAPTACE
SCHEMBL7540085 0.90 CTSL (0.42) CTSLFOLH1NPY1RNPY2RNPY4R
SCHEMBL7538913 0.89 CTSL (0.39) CTSLFOLH1NPY1RNPY2RNPY4R
SCHEMBL7540980 0.89 FOLH1 (0.43) CTSLFOLH1ITGB1ITGA4MAPT
SCHEMBL7540853 0.89 CTSL (0.37) CTSLFOLH1NPY1RNPY2RNPY4R

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
Send feedback