SCHEMBL28279378

SCHEMBL28279378

CCCCCOC(=O)C1CCCC(OC(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNA7 P36544 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PPARG P37231 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42

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
SCHEMBL28278014 0.97 CHRNA7 (0.44) TDP1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL28277983 0.92 LMNA (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL28279422 0.87 KCNH2 (0.50) TDP1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL28279411 0.86 PPARG (0.49) TDP1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL28278036 0.82 MEN1 (0.49) TDP1CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6937744 0.81 TSHR (0.48) EPHX2TDP1PPARGTSHRTP53
SCHEMBL28278041 0.79 CHRM2 (0.46) TDP1PPARGTSHRTP53CYP3A4
SCHEMBL31732174 0.78 ALDH1A1 (0.61) TSHRCYP3A4MAPK1ALDH1A1HTT
SCHEMBL1297857 0.77 EPHX2 (0.59) EPHX2PPARGTSHRMAPK1ALDH1A1
SCHEMBL28278502 0.77 LMNA (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553705-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-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed
CN-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553705-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-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed
CN-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed