SCHEMBL7567257

SCHEMBL7567257

CC(C)CC(C(=O)NC(CCOCC(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 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.40
▸ CTSS P25774 8/20 0.40
▸ CTSL P07711 8/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ REN P00797 1/20 0.34
▸ MMP3 P08254 3/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ CTSB P07858 3/20 0.33
▸ ALDH1A1 P00352 1/20 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
SCHEMBL7544773 1.00 CTSK (0.40) CTSKCTSSCTSLGAAMAPT
SCHEMBL7541260 0.95 CTSK (0.36) CTSKCTSSCTSLMAPTREN
SCHEMBL7538431 0.95 CTSK (0.36) CTSKCTSSCTSLGAAMAPT
SCHEMBL7566320 0.95 CTSK (0.36) CTSKCTSSCTSLMAPTREN
SCHEMBL7567053 0.95 CTSK (0.36) CTSKCTSSCTSLGAAMAPT
SCHEMBL7570937 0.94 CTSK (0.35) CTSKCTSSCTSLMAPTREN
SCHEMBL7538332 0.94 CTSK (0.35) CTSKCTSSCTSLMAPTREN
SCHEMBL7540764 0.93 ANPEP (0.38) CTSKCTSSCTSLGAAREN
SCHEMBL7567398 0.93 ANPEP (0.38) CTSKCTSSCTSLGAAREN
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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