SCHEMBL7566382

SCHEMBL7566382

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.36
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ FFAR2 O15552 1/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ FNTA P49354 4/20 0.32
▸ FNTB P49356 4/20 0.32
▸ CTSL P07711 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ LDHA P00338 1/20 0.31
▸ LDHB P07195 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31

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
SCHEMBL7564982 0.94 CTSK (0.40) ACECTSSCTSKFNTAFNTB
SCHEMBL7571448 0.93 CTSK (0.35) ACECTSSCTSKCTSLFOLH1
SCHEMBL7568185 0.93 CTSK (0.35) ACECTSSCTSKCTSLALDH1A1
SCHEMBL7563255 0.91 ACE (0.38) ACECTSSCTSKCTSLALDH1A1
SCHEMBL7542723 0.91 CTSK (0.38) CTSSCTSKFFAR2GRNSORT1
SCHEMBL7565475 0.90 ACE (0.39) ACECTSSCTSKFNTAFNTB
SCHEMBL7542841 0.89 ACE (0.40) ACEFFAR2GRNSORT1ALDH1A1
SCHEMBL7538332 0.87 CTSK (0.35) CTSSCTSKFFAR2GRNSORT1
SCHEMBL7570937 0.87 CTSK (0.35) CTSSCTSKFFAR2GRNSORT1
SCHEMBL7566389 0.87 CTSK (0.35) CTSSCTSKFFAR2GRNSORT1

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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