SCHEMBL1196147

SCHEMBL1196147

CC1=C(C)C(C(=O)OCC(C)C)C(C(=O)OCC(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
ADORA2B P29275 4/20 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
SCHEMBL28829326 0.84 TSHR (0.39) TSHRALDH1A1RAB9ALMNATP53
SCHEMBL1195579 0.83 ALDH1A1 (0.39) ALDH1A1GAAHSD17B10MAPTALOX12
SCHEMBL28829329 0.79 ALDH1A1 (0.41) TSHRALDH1A1RAB9ALMNAHSP90AA1
SCHEMBL1297720 0.74 TSHR (0.45) TSHRALDH1A1RAB9ALMNAHSP90AA1
SCHEMBL1195328 0.74 ALDH1A1 (0.41) TSHRALDH1A1LMNACHRM2CHRM4
SCHEMBL1196436 0.73 TSHR (0.37) TSHRALDH1A1RAB9ALMNATP53
SCHEMBL27296220 0.73 TSHR (0.43) TSHRALDH1A1RAB9ALMNATP53
SCHEMBL1196507 0.70 TSHR (0.37) TSHRALDH1A1RAB9ALMNATP53
SCHEMBL1196002 0.70 CA1 (0.42) TSHRALDH1A1RAB9ALMNATP53
SCHEMBL234626 0.70 TP53 (0.48) TSHRALDH1A1RAB9ATP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845113-B1 SOLID TITANIUM CATALYST COMPONENT, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2015-04-01 EP disclosed
US-7888438-B2 A solid titanium catalyst component comprising titanium, magnesium, halogen, and a C5-C10 carbocyclic diester, and an organometallic component; moldable polyolefins having broad molecular weight distribution MITSUI CHEMICALS, INC. (JP) 2011-02-15 US disclosed
US-7649062-B2 Solid titanium catalyst component, catalyst for polymerization of olefin and process for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2010-01-19 US disclosed
US-20090069515-A1 Solid Titanium Catalyst Component, Catalyst for Polymerization of Olefin and Process for Producing Olefin Polymer MITSUI CHEMICALS,INC. (JP) 2009-03-12 US disclosed
US-20080125555-A1 Catalyst for olefin polymerization and process for olefin polymerization MITSUI CHEMICALS, INC. (JP) 2008-05-29 US disclosed
US-20080097050-A1 Solid titanium catalyst component, catalyst for polymerization of olefin and process for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2008-04-24 US disclosed
EP-1845113-A1 SOLID TITANIUM CATALYST COMPONENT, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2007-10-17 EP disclosed