SCHEMBL7544736

SCHEMBL7544736

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 8/20 0.42
▸ NPY1R P25929 6/20 0.42
▸ NPY2R P49146 6/20 0.42
▸ CTSL P07711 2/20 0.40
▸ NPY5R Q15761 5/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ IL1RN P18510 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35

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
SCHEMBL7540003 0.94 CTSL (0.44) CTSLMAPTMMP3MMP1MMP2
SCHEMBL7547038 0.94 P2RX7 (0.40) NPY4RNPY1RNPY2RCTSLMAPT
SCHEMBL7538662 0.93 GRN (0.40) NPY4RNPY1RNPY2RCTSLFOLH1
SCHEMBL7541663 0.92 ANPEP (0.44) CTSLMAPTMMP3MMP1MMP2
SCHEMBL7540855 0.92 CTSL (0.40) NPY4RNPY1RNPY2RCTSLFOLH1
SCHEMBL7540853 0.92 CTSL (0.37) NPY4RNPY1RNPY2RCTSLNPY5R
SCHEMBL7538222 0.91 CTSL (0.39) NPY4RNPY1RNPY2RCTSLFOLH1
SCHEMBL7544678 0.90 CTSL (0.39) CTSLMAPTMMP3MMP1MMP2
SCHEMBL7540085 0.90 CTSL (0.42) NPY4RNPY1RNPY2RCTSLFOLH1
SCHEMBL7538913 0.89 CTSL (0.39) NPY4RNPY1RNPY2RCTSLFOLH1

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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