SCHEMBL7565475

SCHEMBL7565475

CC(C)CC(C(=O)NC(CCSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.39
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ FCER2 P06734 1/20 0.33
▸ HTT P42858 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ FNTA P49354 2/20 0.32
▸ FNTB P49356 2/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MYOC Q99972 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PDF Q9HBH1 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
SCHEMBL7539988 0.91 PDF (0.38) ACECTSSCTSKMMP1FCER2
SCHEMBL7564982 0.91 CTSK (0.40) ACECTSSCTSKMMP1FNTA
SCHEMBL7568185 0.91 CTSK (0.35) ACECTSSCTSKHTTLMNA
SCHEMBL7571448 0.91 CTSK (0.35) ACECTSSCTSKCTSL
SCHEMBL7566382 0.90 ACE (0.36) ACEPPARGPPARACTSSCTSK
SCHEMBL7542125 0.90 ACE (0.43) ACEPPARGPPARAMMP1FCER2
SCHEMBL7543904 0.90 ACE (0.43) ACEPPARGPPARAMMP1FCER2
SCHEMBL7563255 0.89 ACE (0.38) ACEPPARGPPARACTSSCTSK
SCHEMBL7563464 0.88 CTSS (0.34) ACECTSSCTSKMMP1FCER2
SCHEMBL7573584 0.88 CTSS (0.34) ACECTSSCTSKMMP1FCER2

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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