SCHEMBL7571661

SCHEMBL7571661

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSL P07711 2/20 0.37
▸ REN P00797 1/20 0.36
▸ MME P08473 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ MMP2 P08253 3/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP8 P22894 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL7543803 0.95 CTSK (0.43) CTSKCTSSCTSLRENMME
SCHEMBL7569173 0.93 CTSK (0.41) CTSKCTSSCTSLRENMME
SCHEMBL7571304 0.93 CTSK (0.41) CTSKCTSSCTSLRENMME
SCHEMBL7570635 0.91 MMP1 (0.41) CTSKCTSSCTSLRENMMP9
SCHEMBL7542723 0.90 CTSK (0.38) CTSKCTSSCTSLGAAMAPT
SCHEMBL7569100 0.90 CTSK (0.38) CTSKCTSSCTSLRENMME
SCHEMBL7541723 0.89 CTSK (0.38) CTSKCTSSCTSLGAAMAPT
SCHEMBL7544077 0.89 MAPK1 (0.42) RENMMP2MMP9MMP7MMP12
SCHEMBL7543417 0.88 CTSL (0.41) CTSSCTSLRENMMEACE
SCHEMBL7546039 0.86 CTSK (0.43) CTSKCTSSCTSLRENMME

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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