SCHEMBL28564478

SCHEMBL28564478

C=CCOC(=O)C(C(=O)OCCC)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.39
CHRM1 P11229 8/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CHRM4 P08173 7/20 0.35
CHRM3 P20309 7/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP1 P29466 1/20 0.33
LMNA P02545 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
SCHEMBL28558880 0.87 ALDH1A1 (0.43) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL28558891 0.85 TDP1 (0.46) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL28564488 0.82 TSHR (0.39) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL8330411 0.78 ALDH1A1 (0.38) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL8330413 0.76 CASP1 (0.37) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL28563015 0.75 TSHR (0.43) CHRM1ALDH1A1GAATSHRCASP1
SCHEMBL7783891 0.74 ALDH1A1 (0.42) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL28194306 0.74 TSHR (0.39) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL16732249 0.73 CHRM2 (0.43) CHRM2CHRM1SLC6A3KCNH2ALDH1A1
SCHEMBL28393880 0.73 CHRM2 (0.43) CHRM2CHRM1SLC6A3KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678996-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109678998-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109679006-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-08-03 CN disclosed
CN-109679004-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed