SCHEMBL7540853

SCHEMBL7540853

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.37
▸ NPY4R P50391 3/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ FOLH1 Q04609 1/20 0.34
▸ MMP3 P08254 3/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ ITGB1 P05556 5/20 0.34
▸ ITGA4 P13612 5/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33

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
SCHEMBL7569287 0.95 CTSL (0.41) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541267 0.94 P2RX7 (0.38) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7538484 0.93 GRN (0.37) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7541924 0.93 ANPEP (0.41) CTSLMMP3MMP2MMP1
SCHEMBL7544736 0.92 NPY4R (0.42) CTSLNPY4RNPY1RNPY2RFOLH1
SCHEMBL7538819 0.91 CTSL (0.36) CTSLMMP3MMP2MMP1ITGB1
SCHEMBL7544936 0.89 ITGB1 (0.41) NPY4RFOLH1ITGB1ITGA4
SCHEMBL7544863 0.89 ITGB1 (0.41) NPY4RFOLH1ITGB1ITGA4
SCHEMBL7540855 0.89 CTSL (0.40) CTSLNPY4RNPY1RNPY2RFOLH1
SCHEMBL7565029 0.88 CTSK (0.36) CTSLFOLH1

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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