SCHEMBL28277997

SCHEMBL28277997

CCOC(=O)C1CCCC1OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
SLC18A3 Q16572 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
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

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
SCHEMBL28278031 0.97 KCNH2 (0.55) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL28279362 0.90 LMNA (0.54) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL28279416 0.87 KCNH2 (0.46) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL28278032 0.87 LMNA (0.54) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL28278041 0.86 CHRM2 (0.46) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL28279402 0.85 KCNH2 (0.46) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL9696781 0.85 HTR3E (0.54) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2692166 0.85 HTR3E (0.54) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL28278397 0.84 CHRM2 (0.46) KCNH2CHRM2CHRM4CHRM1CHRM3
SCHEMBL9517164 0.81 KCNH2 (0.52) KCNH2MAPTPKM

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-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