SCHEMBL28064101

SCHEMBL28064101

CCC(O)(Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.52
MAPT P10636 2/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 2/20 0.49
MMP12 P39900 1/20 0.49
MCL1 Q07820 1/20 0.49
ALOX5 P09917 3/20 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
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
GSTP1 P09211 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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 0.96 MAOB (0.54) FFAR1MAPTMAOBKDM4EMEN1
SCHEMBL687447 0.81 SMN1; SMN2 (0.52) KDM4EMEN1KMT2APPARGALDH1A1
SCHEMBL7908766 0.81 SMN1; SMN2 (0.52) KDM4EMEN1KMT2APPARGALDH1A1
SCHEMBL7908936 0.81 SMN1; SMN2 (0.52) KDM4EMEN1KMT2APPARGALDH1A1
SCHEMBL28064099 0.81 FFAR1 (0.58) FFAR1MAOBMMP12ALOX5FFAR4
SCHEMBL2164934 0.79 PPARG (0.58) FFAR1MAPTMAOBKDM4EMEN1
SCHEMBL2164933 0.79 PPARG (0.58) FFAR1MAPTMAOBKDM4EMEN1
SCHEMBL7099922 0.77 PPARG (0.59) FFAR1MAPTMAOBKDM4EMEN1
SCHEMBL5326113 0.77 PPARG (0.59) FFAR1MAPTMAOBKDM4EMEN1
SCHEMBL2241052 0.77 LDHA (0.49) FFAR1KDM4EALDH1A1HTTRAB9A

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