SCHEMBL11523391

SCHEMBL11523391

O=C(O)C1CCc2cc(Oc3ccccc3)ccc2O1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.65
PPARA Q07869 3/20 0.65
PPARD Q03181 1/20 0.54
CYP4F2 P78329 4/20 0.46
CYP4A11 Q02928 4/20 0.46
SLC8A1 P32418 3/20 0.46
FAAH O00519 4/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 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
SCHEMBL2133112 0.89 PPARG (0.65) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL7296313 0.83 PPARG (0.51) PPARGPPARACYP4F2CYP4A11NFKB1
SCHEMBL7296319 0.83 PPARG (0.51) PPARGPPARACYP4F2CYP4A11NFKB1
SCHEMBL11527877 0.82 PPARG (0.52) PPARGPPARAPPARDSLC8A1FAAH
SCHEMBL9254934 0.82 PPARG (0.53) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL7079479 0.81 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7085487 0.81 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL29587603 0.79 HDAC3 (0.49) PPARGPPARACYP4F2CYP4A11FAAH
SCHEMBL11526092 0.79 HDAC3 (0.49) PPARGPPARACYP4F2CYP4A11FAAH
SCHEMBL29388635 0.78 HPGD (0.49) PPARGPPARAPPARD

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
US-4178380-A LIPOGENSIS INHIBITORS SHELL OIL COMPANY (US) 1979-12-11 US disclosed