SCHEMBL1196507

SCHEMBL1196507

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
ADORA2B P29275 4/20 0.33
ADORA1 P30542 1/20 0.33
MCL1 Q07820 1/20 0.33
ALOX15 P16050 1/20 0.33
CTNNB1 P35222 1/20 0.33
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
TP53 P04637 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
SCHEMBL1195977 0.83 ALDH1A1 (0.41) TSHRALDH1A1LMNAPOLBMAPT
SCHEMBL1196002 0.78 CA1 (0.42) TSHRALDH1A1LMNAPOLBMAPT
SCHEMBL28829326 0.76 TSHR (0.39) TSHRALDH1A1LMNAMAPTCHRM2
SCHEMBL1196437 0.76 CHRM2 (0.35) TSHRALDH1A1POLBMAPTCHRM2
SCHEMBL1297720 0.73 TSHR (0.45) TSHRALDH1A1LMNACHRM2CHRM4
SCHEMBL1196087 0.73 TSHR (0.35) TSHRALDH1A1POLBMAPTCHRM2
SCHEMBL1169269 0.72 TSHR (0.36) TSHRALDH1A1POLBMAPTCHRM2
SCHEMBL27296220 0.72 TSHR (0.43) TSHRALDH1A1LMNACHRM2CHRM4
SCHEMBL28829329 0.71 ALDH1A1 (0.41) TSHRALDH1A1LMNAPOLBCHRM2
SCHEMBL31321954 0.71 GAA (0.41) TSHRALDH1A1POLBCHRM2CHRM4

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