SCHEMBL28779138

SCHEMBL28779138

O=CC(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
LTA4H P09960 2/20 0.50
BCHE P06276 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL27716195 0.92 F2 (0.48) PPARGPPARALTA4HBCHEMAPT
SCHEMBL27875629 0.86 BCHE (0.49) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL7167442 0.86 ALOX5 (0.49) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL3090270 0.84 FFAR1 (0.48) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL38662261 0.83 ALDH1A1 (0.54) PPARGPPARALTA4HCYP1A2CYP2C19
SCHEMBL832850 0.81 EPHX1 (0.48) CYP1A2PTGS1SLC6A2SLC6A3MAOA
SCHEMBL8505924 0.81 LMNA (0.53) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL8505922 0.81 LMNA (0.53) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL2844054 0.81 LMNA (0.53) BCHELMNACYP1A2PTGS1SLC6A2
SCHEMBL8618057 0.81 BCHE (0.56) LTA4HBCHEFFAR1FFAR4ALOX5

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