SCHEMBL7543803

SCHEMBL7543803

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSL P07711 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ REN P00797 1/20 0.38
▸ MME P08473 3/20 0.38
▸ ACE P12821 2/20 0.38
▸ CPA1 P15085 2/20 0.38
▸ ACE2 Q9BYF1 2/20 0.38
▸ MMP2 P08253 3/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ ECE1 P42892 5/20 0.36
▸ MMP3 P08254 2/20 0.36

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
SCHEMBL7569173 0.96 CTSK (0.41) CTSKCTSSCTSLGAAMAPT
SCHEMBL7571304 0.96 CTSK (0.41) CTSKCTSSCTSLGAAMAPT
SCHEMBL7571661 0.95 CTSK (0.40) CTSKCTSSCTSLGAAMAPT
SCHEMBL7570635 0.94 MMP1 (0.41) CTSKCTSSCTSLRENMMP9
SCHEMBL7569100 0.93 CTSK (0.38) CTSKCTSSCTSLMAPTREN
SCHEMBL7546039 0.91 CTSK (0.43) CTSKCTSSCTSLGAAMAPT
SCHEMBL7540886 0.90 CTSK (0.43) CTSKCTSSCTSLGAAMAPT
SCHEMBL7546445 0.88 GAA (0.44) CTSKCTSSGAAMAPTHPGD
SCHEMBL7565424 0.87 CTSK (0.40) CTSKCTSSCTSLGAAMAPT
SCHEMBL7567257 0.87 CTSK (0.40) 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
Send feedback