SCHEMBL8768686

SCHEMBL8768686

CCCCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1ccc(OC)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.61
PPARG P37231 6/20 0.61
PPARD Q03181 2/20 0.55
SOAT1 P35610 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MAPT P10636 2/20 0.44

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
SCHEMBL8767784 1.00 PPARA (0.61) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8767727 1.00 PPARA (0.61) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8767679 0.99 PPARA (0.59) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8926283 0.93 PPARA (0.68) PPARAPPARGPPARDMAPT
SCHEMBL8924339 0.93 GAA (0.52) PPARAPPARGPPARDHDAC1HDAC6
SCHEMBL8767844 0.92 PPARA (0.58) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL6941878 0.92 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL8768980 0.90 PPARA (0.50) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8768112 0.90 PPARA (0.56) PPARAPPARGPPARDSOAT1HDAC1
SCHEMBL8768938 0.89 PPARA (0.54) PPARAPPARGPPARDSOAT1HDAC1

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 2 patents. 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
US-5658944-A ANTICHOLESTEROL AGENTS THE UNIVERSITY OF SOUTH CAROLINA (US) 1997-08-19 US disclosed