SCHEMBL7564315

SCHEMBL7564315

CC(C)CC(C(=O)NC(CNCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.40
▸ CTSS P25774 7/20 0.40
▸ CTSL P07711 7/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MMP3 P08254 5/20 0.33
▸ REN P00797 1/20 0.33
▸ MMP1 P03956 3/20 0.33
▸ MMP2 P08253 3/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ CTSB P07858 3/20 0.33
▸ MME P08473 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ CPA1 P15085 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL7565424 1.00 CTSK (0.40) CTSKCTSSCTSLGAAMAPT
SCHEMBL7567146 0.95 CTSK (0.36) CTSKCTSSCTSLGAAMAPT
SCHEMBL7565029 0.95 CTSK (0.36) CTSKCTSSCTSLGAAMAPT
SCHEMBL7565898 0.95 CTSK (0.36) CTSKCTSSCTSLGAAMAPT
SCHEMBL7565354 0.95 CTSK (0.36) CTSKCTSSCTSLGAAMAPT
SCHEMBL7568018 0.94 CTSK (0.35) CTSKCTSSCTSLCTSB
SCHEMBL7566389 0.94 CTSK (0.35) CTSKCTSSCTSLCTSB
SCHEMBL7573608 0.93 ANPEP (0.38) CTSKCTSSCTSLMMP3MMP1
SCHEMBL7567905 0.93 ANPEP (0.38) CTSKCTSSCTSLMMP3MMP1
SCHEMBL7546039 0.91 CTSK (0.43) CTSKCTSSCTSLGAAMAPT

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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