SCHEMBL8564724

SCHEMBL8564724

CC(C)(CCOCc1ccccc1)CC(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 2/20 0.50
CTSS P25774 4/20 0.49
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.49
KLK5 Q9Y337 3/20 0.44
KLK7 P49862 2/20 0.44
ACE P12821 1/20 0.43
RAB9A P51151 1/20 0.43
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 2/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL1586917 1.00 PPARA (0.55) PPARAPPARGCTSSSYKATM
SCHEMBL1587188 0.90 PPARA (0.54) PPARAPPARGCTSSSYKATM
SCHEMBL3668697 0.88 PPARA (0.52) PPARAPPARGCTSSSYKATM
SCHEMBL1569316 0.86 PPARA (0.59) PPARAPPARGCTSSSYKATM
SCHEMBL1363391 0.86 PPARA (0.59) PPARAPPARGCTSSSYKATM
SCHEMBL35211707 0.86 PPARA (0.59) PPARAPPARGCTSSSYKATM
SCHEMBL1684537 0.84 PPARA (0.48) PPARAPPARGCTSSSYKATM
SCHEMBL8567696 0.83 PPARA (0.54) PPARAPPARGCTSSSYKATM
SCHEMBL8567700 0.83 PPARA (0.54) PPARAPPARGCTSSSYKATM
SCHEMBL212797 0.83 PPARA (0.65) PPARAPPARGCTSSSYKATM

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-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed