SCHEMBL8768145

SCHEMBL8768145

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1c(OC)cccc1OCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
SOAT1 P35610 1/20 0.37
SLC2A1 P11166 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL8768990 0.89 PPARA (0.50) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8925832 0.87 PPARA (0.43) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8767877 0.81 HDAC6 (0.59) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8768890 0.80 PPARA (0.53) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8768641 0.79 PPARA (0.51) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8768964 0.79 PPARA (0.46) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8768980 0.79 PPARA (0.50) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8925423 0.78 PPARA (0.49) PPARAPPARGPPARDSOAT1
SCHEMBL8768932 0.78 HDAC6 (0.50) PPARAPPARGPPARDHDAC3HDAC1
SCHEMBL8925569 0.77 PPARA (0.43) PPARAPPARGPPARDHDAC3HDAC1

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-0639178-B1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS WELLCOME FOUND (GB) 1997-09-03 EP disclosed