SCHEMBL28779136

SCHEMBL28779136

O=C(C(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1)C(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.60
PPARA Q07869 3/20 0.60
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
LMNA P02545 2/20 0.54
PPARD Q03181 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 1/20 0.54
PARP10 Q53GL7 1/20 0.54
ALOX5 P09917 1/20 0.53

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
SCHEMBL27716193 0.92 PPARG (0.52) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL8332027 0.91 PPARG (0.64) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL27746688 0.89 NR4A1 (0.55) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL7167438 0.88 MAOB (0.58) NR4A1NR4A2NR4A3FFAR1LMNA
SCHEMBL8871420 0.87 LMNA (0.64) PPARGPPARAFFAR1FFAR4LMNA
SCHEMBL8865699 0.86 PPARG (0.63) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL27383580 0.86 NR4A1 (0.55) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL14021577 0.83 LMNA (0.62) PPARGPPARAFFAR1FFAR4LMNA
SCHEMBL7908556 0.83 MAOB (0.56) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL27757352 0.82 LMNA (0.51) PPARGPPARANR4A1NR4A2NR4A3

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
CN-101346358-A Estrogen modulators PFIZER PROD INC (US) 2009-01-14 CN disclosed