SCHEMBL4432728

SCHEMBL4432728

NC(=O)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.70
MAPT P10636 2/20 0.67
TP53 P04637 1/20 0.67
PLA2G4B P0C869 1/20 0.64
NR4A1 P22736 1/20 0.64
NR4A2 P43354 1/20 0.64
NR4A3 Q92570 1/20 0.64
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAOB P27338 3/20 0.60
GAA P10253 1/20 0.59
MAOA P21397 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL1115002 0.85 PPARG (0.71) PARP10MAPTPLA2G4BNR4A1NR4A2
SCHEMBL138162 0.85 ALOX15 (0.68) PARP10MAPTTP53SMN1; SMN2FFAR1
SCHEMBL1395785 0.84 PARP10 (0.68) PARP10MAPTNR4A1NR4A2NR4A3
SCHEMBL7908824 0.83 PARP10 (0.54) PARP10MAPTTP53NR4A1NR4A2
SCHEMBL4432738 0.83 MAOB (0.71) PARP10NR4A2MAOBMAOACA12
Hydrochloric Acid SCHEMBL1291208 0.83 ALOX15 (0.65) PARP10MAPTTP53GAASMN1; SMN2
Hydrochloric Acid SCHEMBL27524256 0.83 ALOX15 (0.65) PARP10MAPTTP53GAASMN1; SMN2
SCHEMBL29145072 0.83 ALOX15 (0.65) PARP10MAPTTP53GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7004811 0.83 MAPT (0.50) PARP10MAPTTP53PLA2G4BNR4A1
SCHEMBL10506137 0.82 MEN1 (0.58) PARP10MAPTTP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085145-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) methyl propionate 苏州开元民生科技股份有限公司 2022-11-08 CN claimed
CN-114085145-A Environment-friendly preparation method of R- (+) -2- (4-hydroxyphenoxy) methyl propionate 苏州开元民生科技股份有限公司 2022-02-25 CN claimed
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP claimed
CN-114085145-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) methyl propionate 苏州开元民生科技股份有限公司 2022-11-08 CN disclosed
CN-109153655-B Novel N-acylurea derivatives and compositions comprising the same for preventing or treating cardiovascular diseases 高丽大学校产学协力团 2022-09-30 CN disclosed
CN-114085145-A Environment-friendly preparation method of R- (+) -2- (4-hydroxyphenoxy) methyl propionate 苏州开元民生科技股份有限公司 2022-02-25 CN disclosed
CN-114085145-A Environment-friendly preparation method of R- (+) -2- (4-hydroxyphenoxy) methyl propionate 苏州开元民生科技股份有限公司 2022-02-25 CN disclosed
EP-2316834-A1 Thiadiazoles or oxadiazoles and their use as inhibitors of JAK protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed