SCHEMBL28064096

SCHEMBL28064096

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.57
PPARA Q07869 3/20 0.57
LTA4H P09960 2/20 0.51
LAP3 P28838 1/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CYP1A2 P05177 1/20 0.50
PPARD Q03181 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
ALOX5 P09917 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL7344629 0.82 MMP12 (0.55) PPARGPPARALTA4HFFAR1FFAR4
SCHEMBL8892873 0.81 LTA4H (0.64) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL8892768 0.81 LTA4H (0.64) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL8892764 0.81 LTA4H (0.64) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL8892865 0.81 LTA4H (0.64) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL8892426 0.81 LTA4H (0.64) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL8892421 0.81 LTA4H (0.64) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL8000823 0.80 PPARG (0.63) PPARGPPARALTA4HLAP3FFAR1
SCHEMBL28441594 0.79 PPARA (0.62) PPARGPPARALTA4HFFAR1FFAR4
SCHEMBL10317574 0.79 FFAR1 (0.63) LTA4HFFAR1FFAR4NR4A1NR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669423-A New synthesis method of two enantiomers of 4-(4-(benzyloxy)phenyl)-2-hydroxybutyric acid 江西科技师范大学 2016-06-15 CN claimed
CN-105669423-A New synthesis method of two enantiomers of 4-(4-(benzyloxy)phenyl)-2-hydroxybutyric acid 江西科技师范大学 2016-06-15 CN disclosed
CN-105669423-A New synthesis method of two enantiomers of 4-(4-(benzyloxy)phenyl)-2-hydroxybutyric acid 江西科技师范大学 2016-06-15 CN disclosed