SCHEMBL7538222

SCHEMBL7538222

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 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.39
▸ FOLH1 Q04609 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGA4 P13612 2/20 0.36
▸ NPY4R P50391 3/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ 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

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
SCHEMBL7541918 0.94 CTSL (0.43) CTSLITGB1ITGA4MAPTACE
SCHEMBL7542429 0.94 P2RX7 (0.40) CTSLITGB1ITGA4FPR2MAPT
SCHEMBL7541917 0.93 GRN (0.39) CTSLITGB1ITGA4FPR2CTSK
SCHEMBL7544736 0.91 NPY4R (0.42) CTSLFOLH1ITGB1ITGA4NPY4R
SCHEMBL7540855 0.91 CTSL (0.40) CTSLFOLH1OPRD1ITGB1ITGA4
SCHEMBL7540085 0.89 CTSL (0.42) CTSLFOLH1OPRD1NPY4RNPY1R
SCHEMBL7538913 0.89 CTSL (0.39) CTSLFOLH1ITGB1ITGA4NPY4R
SCHEMBL7539509 0.89 ITGB1 (0.44) FOLH1OPRD1ITGB1ITGA4FPR2
SCHEMBL7539506 0.89 ITGB1 (0.44) FOLH1OPRD1ITGB1ITGA4FPR2
SCHEMBL7540853 0.88 CTSL (0.37) CTSLFOLH1ITGB1ITGA4NPY4R

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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