SCHEMBL28548167

SCHEMBL28548167

CCCCc1ccccc1C1OC(=O)COC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
HTT P42858 1/20 0.36
CYP1A1 P04798 1/20 0.33
CTRC Q99895 1/20 0.33
CES2 O00748 1/20 0.33
MAOA P21397 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ABCB1 P08183 1/20 0.32
SCN9A Q15858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28547834 0.92 KDM4E (0.33) CYSLTR2CYSLTR1HTTMAOAKDM4E
SCHEMBL28911291 0.87 ALDH1A1 (0.34) HTTKDM4EALDH1A1
SCHEMBL28540507 0.75 TAAR1 (0.37) ALDH1A1
SCHEMBL28547883 0.75 SPHK1 (0.38) ALDH1A1
SCHEMBL28538262 0.74 S1PR3 (0.38) ABCB1LIPG
SCHEMBL28542554 0.72 TP53 (0.41) MAOAKDM4EALDH1A1
SCHEMBL28553683 0.71 MAPT (0.33) NR1H2NR1H3KDM4EALDH1A1
SCHEMBL28545968 0.69 MGLL (0.35) LIPGALDH1A1
SCHEMBL10931942 0.68 CYSLTR2 (0.42) CYSLTR2CYSLTR1HTTCTRCLIPG
SCHEMBL9303316 0.68 ALDH1A1 (0.43) HTTCTRCKDM4EALDH1A1

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-109553708-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553709-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553707-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-09 CN claimed
CN-109553708-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553709-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553707-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-09 CN disclosed