SCHEMBL28064100

SCHEMBL28064100

O=C(O)[C@H](O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.65
FFAR1 O14842 5/20 0.63
FFAR4 Q5NUL3 2/20 0.63
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
BCHE P06276 1/20 0.55
ALOX5 P09917 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 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
SCHEMBL8887748 1.00 MMP12 (0.65) MMP12FFAR1FFAR4LTA4HEPHX2
SCHEMBL8888971 0.85 LMNA (0.62) MMP12FFAR1FFAR4LTA4HEPHX2
SCHEMBL287969 0.84 PPARG (0.67) FFAR1FFAR4LTA4HPPARGPPARA
SCHEMBL1069493 0.84 PPARG (0.67) FFAR1FFAR4LTA4HPPARGPPARA
SCHEMBL2164145 0.84 PPARG (0.67) FFAR1FFAR4LTA4HPPARGPPARA
SCHEMBL27551912 0.84 LTA4H (0.64) MMP12FFAR1FFAR4LTA4HEPHX2
SCHEMBL9001026 0.84 LTA4H (0.64) MMP12FFAR1FFAR4LTA4HEPHX2
SCHEMBL233441 0.83 CNR2 (0.50) MMP12PPARGPPARACYP1A2
SCHEMBL233440 0.83 CNR2 (0.50) MMP12PPARGPPARACYP1A2
SCHEMBL360781 0.83 CNR2 (0.50) MMP12PPARGPPARACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 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