SCHEMBL8768167

SCHEMBL8768167

COc1ccc(NC(=O)N(CCc2ccc(Cl)cc2)Cc2ccc(OC(C)(C)C(=O)O)cc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.57
PPARG P37231 8/20 0.57
PPARD Q03181 7/20 0.57
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
FABP2 P12104 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8768806 0.90 PPARA (0.50) PPARAPPARGPPARDGAAHTT
SCHEMBL8924339 0.88 GAA (0.52) PPARAPPARGPPARDGAAHTT
SCHEMBL8767827 0.87 GAA (0.52) PPARAPPARGPPARDGAAHTT
SCHEMBL8925777 0.86 PPARA (0.62) PPARAPPARGPPARDGAAHTT
SCHEMBL8767679 0.85 PPARA (0.59) PPARAPPARGPPARDGAAHTT
SCHEMBL8767784 0.85 PPARA (0.61) PPARAPPARGPPARDGAAHTT
SCHEMBL8767727 0.85 PPARA (0.61) PPARAPPARGPPARDGAAHTT
SCHEMBL8768686 0.85 PPARA (0.61) PPARAPPARGPPARDGAAHTT
SCHEMBL8767844 0.84 PPARA (0.58) PPARAPPARGPPARDGAAHTT
SCHEMBL6941878 0.84 PPARA (0.72) PPARAPPARGPPARDMEN1KMT2A

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 4 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
EP-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP disclosed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO disclosed