SCHEMBL16732167

SCHEMBL16732167

CCC(C(=O)OCC(C)(C)C)(C(=O)OCC(C)(C)C)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.36
CHRM1 P11229 8/20 0.36
CHRM4 P08173 7/20 0.36
CHRM3 P20309 7/20 0.36
CYP2C19 P33261 2/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL16732051 0.98 CHRM2 (0.34) CHRM2CHRM1CHRM4CHRM3CYP2C19
SCHEMBL16732287 0.84 ALDH1A1 (0.40) CHRM2CHRM1CHRM4CHRM3CYP2C19
SCHEMBL16732326 0.83 MMP8 (0.33) CHRM2CHRM1CHRM4CHRM3
SCHEMBL16732047 0.82 ALDH1A1 (0.38) CHRM2CHRM1CHRM4CHRM3CYP2C19
SCHEMBL16732320 0.81 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CYP2C19
SCHEMBL16732306 0.81 CHRM2 (0.35) CHRM2CHRM1CHRM4CHRM3KCNH2
SCHEMBL16732146 0.81 MMP8 (0.33)
SCHEMBL16732316 0.80 EPHX2 (0.40) CHRM2CHRM1CHRM4CHRM3CYP2C19
SCHEMBL16732269 0.80 CCR2 (0.34) CHRM2CHRM1CHRM4CHRM3
SCHEMBL27473169 0.80 THRB (0.40) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2876118-B1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO LTD (JP) 2022-04-06 EP disclosed
EP-2963065-B1 PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO LTD (JP) 2018-04-04 EP disclosed
EP-2963063-B1 PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO LTD (JP) 2017-06-14 EP disclosed
US-9670294-B2 Method for producing solid catalyst component for use in polymerization of olefin, catalyst for use in polymerization of olefin, and method for producing olefin polymer TOHO TITANIUM CO., LTD. (JP) 2017-06-06 US disclosed
US-9593188-B2 Production method for solid catalyst component for polymerizing olefins, catalyst for polymerizing olefins, and production method for polymerized olefins TOHO TITANIUM CO., LTD. (JP) 2017-03-14 US disclosed
US-9587050-B2 Production method for solid catalyst component for polymerizing olefins, catalyst for polymerizing olefins, and production method for polymerized olefins TOHO TITANIUM CO., LTD. (JP) 2017-03-07 US disclosed
EP-2963065-A1 PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO., LTD. (JP) 2016-01-06 EP disclosed
EP-2963063-A1 PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO., LTD. (JP) 2016-01-06 EP disclosed
US-20150240011-A1 PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO., LTD. (JP) 2015-08-27 US disclosed
US-20150240002-A1 PRODUCTION METHOD FOR SOLID CATALYST COMPONENT FOR POLYMERIZING OLEFINS, CATALYST FOR POLYMERIZING OLEFINS, AND PRODUCTION METHOD FOR POLYMERIZED OLEFINS TOHO TITANIUM CO., LTD. (JP) 2015-08-27 US disclosed
US-20150166693-A1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO., LTD. (JP) 2015-06-18 US disclosed
EP-2876118-A1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER Toho Titanium CO., LTD. (JP) 2015-05-27 EP disclosed