SCHEMBL16732016

SCHEMBL16732016

CC(C)COC(=O)C(C(=O)OCC(C)C)C(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX4 Q99571 1/20 0.43
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM5 P08912 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40

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
SCHEMBL14198943 0.86 ALDH1A1 (0.53) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL9225532 0.84 MMP8 (0.54) TSHRCYP1A2SMN1; SMN2KMT2ALMNA
SCHEMBL28163280 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL28163281 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL20799232 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL17965748 0.81 ALDH1A1 (0.61) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL2296619 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL11650568 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL28114734 0.81 KMT2A (0.60) ALDH1A1TSHRHPGDCYP1A2CYP2D6
SCHEMBL16732194 0.81 ALDH1A1 (0.49) ALDH1A1TSHRHPGDCYP1A2CYP2D6

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-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-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-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