SCHEMBL28298039

SCHEMBL28298039

CCOc1ccc(CCOC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
ACACB O00763 3/20 0.52
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
OPRM1 P35372 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NQO1 P15559 1/20 0.48
PARP10 Q53GL7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8405121 0.85 ALDH1A1 (0.44) ALDH1A1ACACBLMNAL3MBTL1SMN1; SMN2
SCHEMBL28233129 0.85 HTT (0.53) ALDH1A1ACACBADORA3HTR2AHTR7
SCHEMBL27495385 0.83 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1CYP1A2KDM4E
SCHEMBL3815839 0.82 SMN1; SMN2 (0.62) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13034122 0.82 ALDH1A1 (0.60) ALDH1A1ACACBSLC5A1SLC5A2LMNA
SCHEMBL2387797 0.82 LMNA (0.52) ALDH1A1ADORA3LMNAMEN1KMT2A
SCHEMBL86139 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1SMN1; SMN2
SCHEMBL28241609 0.81 THRB (0.56) ALDH1A1ACACBADORA3HTR2AHTR7
SCHEMBL22621344 0.80 L3MBTL1 (0.50) ALDH1A1ADORA3HTR2AHTR7OPRM1
SCHEMBL4458661 0.80 ESR1 (0.57) ALDH1A1ADORA3HTR2AHTR7OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-109761809-A Method for synthesizing 2-bromo-2- (2-fluoro-3-methoxyphenyl) ethyl acetate by catalytic reduction of palladium on carbon 安徽华胜医药科技有限公司 2019-05-17 CN disclosed
CN-109734590-A Method for synthesizing 2-bromo-2- (2-fluoro-3-methoxyphenyl) ethyl acetate by carbon dioxide method 安徽华胜医药科技有限公司 2019-05-10 CN disclosed