SCHEMBL8768146

SCHEMBL8768146

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
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
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
PPARD Q03181 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL8768880 0.90 SOAT1 (0.51) SOAT1CYP3A4MAPTTSHRHDAC1
SCHEMBL8768112 0.89 PPARA (0.56) SOAT1KDM4ETP53CYP3A4MAPT
SCHEMBL8856197 0.87 SOAT1 (0.60) SOAT1KDM4ETP53CYP3A4MAPT
SCHEMBL8768153 0.82 PPARA (0.58) SOAT1MAPTTSHRPPARGPPARA
SCHEMBL8856155 0.81 SOAT1 (0.45) SOAT1KDM4ETP53CYP3A4MAPT
SCHEMBL8768851 0.81 PPARA (0.67) SOAT1KDM4ETP53CYP3A4MAPT
SCHEMBL8767727 0.79 PPARA (0.61) SOAT1MAPTTSHRHDAC1HDAC6
SCHEMBL8767784 0.79 PPARA (0.61) SOAT1MAPTTSHRHDAC1HDAC6
SCHEMBL8768686 0.79 PPARA (0.61) SOAT1MAPTTSHRHDAC1HDAC6
SCHEMBL8768990 0.78 PPARA (0.50) SOAT1CYP3A4TSHRHDAC1HDAC6

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