SCHEMBL8768112

SCHEMBL8768112

CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc1c(OC)cc(OC)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.56
PPARG P37231 5/20 0.56
PPARD Q03181 1/20 0.56
SOAT1 P35610 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ACAT1 P24752 1/20 0.48
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42

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
SCHEMBL8768851 0.92 PPARA (0.67) PPARAPPARGPPARDSOAT1KDM4E
SCHEMBL8767784 0.90 PPARA (0.61) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8767727 0.90 PPARA (0.61) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8768686 0.90 PPARA (0.61) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8768146 0.89 SOAT1 (0.48) PPARAPPARGPPARDSOAT1KDM4E
SCHEMBL8767679 0.89 PPARA (0.59) PPARAPPARGPPARDSOAT1MAPT
SCHEMBL8856197 0.87 SOAT1 (0.60) SOAT1KDM4ETP53CYP3A4MAPT
SCHEMBL8923385 0.87 PPARA (0.70) PPARAPPARGPPARDSOAT1HDAC3
SCHEMBL8767593 0.84 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL8768666 0.84 PPARA (0.57) PPARAPPARGPPARDSOAT1CYP3A4

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