SCHEMBL6836752

SCHEMBL6836752

CCN(CC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.47
KLK7 P49862 1/20 0.47
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PPARA Q07869 3/20 0.43
SYK P43405 1/20 0.43
ACE P12821 1/20 0.42
BACE1 P56817 4/20 0.42
MMP9 P14780 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PPARG P37231 2/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 1/20 0.39
VCAM1 P19320 1/20 0.38
SLC15A1 P46059 1/20 0.38

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
SCHEMBL344669 0.80 PPARA (0.63) KLK5KLK7PPARASYKACE
SCHEMBL344670 0.80 PPARA (0.63) KLK5KLK7PPARASYKACE
SCHEMBL84710 0.80 PPARA (0.63) KLK5KLK7PPARASYKACE
SCHEMBL10564283 0.79 SYK (0.54) PPARASYKBACE1PPARG
SCHEMBL31377096 0.79 KLK5 (0.54) KLK5KLK7PPARASYKACE
SCHEMBL15850871 0.78 MMP9 (0.53) ACEBACE1MMP9SLC15A1
SCHEMBL15122765 0.77 PPARA (0.49) KLK5KLK7PPARASYKACE
SCHEMBL28795441 0.77 PPARA (0.49) KLK5KLK7PPARASYKACE
SCHEMBL28888891 0.77 PPARA (0.49) KLK5KLK7PPARASYKACE
SCHEMBL30522106 0.77 MMP9 (0.45) KLK5KLK7PPARASYKACE

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
US-6753409-B1 FOR TREATMENT OF MYOCARDIAL INFARCTION, STROKE, PERIPHERAL ARTERIAL DISEASE AND DISSEMINATED INTRAVASCULAR COAGULATION AVENTIS PHARMACEUTICALS INC. 2004-06-22 US claimed