SCHEMBL28064099

SCHEMBL28064099

O=C(O)C(O)(CCc1ccc(OCc2ccccc2)cc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.58
FFAR4 Q5NUL3 2/20 0.58
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
ALOX5 P09917 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
SLC13A5 Q86YT5 1/20 0.49
MAOB P27338 1/20 0.49
PARP10 Q53GL7 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 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
SCHEMBL5356399 0.84 MAOB (0.54) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL28064101 0.81 FFAR1 (0.52) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL2164934 0.78 PPARG (0.58) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL2164933 0.78 PPARG (0.58) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL5326113 0.77 PPARG (0.59) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL7099922 0.77 PPARG (0.59) FFAR1FFAR4NR4A1NR4A2NR4A3
Hydrochloric Acid SCHEMBL29663962 0.75 MAOB (0.57) FFAR1FFAR4LTA4HNR4A1NR4A2
SCHEMBL6168 0.75
SCHEMBL30787972 0.74 BLM (0.62) FFAR1FFAR4NR4A1NR4A2NR4A3
SCHEMBL9079869 0.74 BLM (0.62) FFAR1FFAR4NR4A1NR4A2NR4A3

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 4 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-B The novel synthesis of two kinds of enantiomters of 4- (4- (benzyloxy) phenyl) -2- hydroxybutyric acids 江西科技师范大学 2018-06-29 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
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