SCHEMBL1196033

SCHEMBL1196033

CC(C)COC(=O)C1C(c2ccccc2)C=CC(c2ccccc2)C1C(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
GAA P10253 1/20 0.42
FABP7 O15540 2/20 0.41
FABP5 Q01469 1/20 0.41
HPGD P15428 1/20 0.41
P2RX4 Q99571 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL4439254 0.95 PPARG (0.53) PPARGALDH1A1TSHRCACNA1FCACNA1D
SCHEMBL1196044 0.81 PPARG (0.48) PPARGALDH1A1TSHRCACNA1FCACNA1D
SCHEMBL1196045 0.78 PPARG (0.51) PPARGALDH1A1TSHRCACNA1FCACNA1D
SCHEMBL9721811 0.75 MAPK1 (0.51) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL1196061 0.73 TDP1 (0.43) PPARGALDH1A1TSHRCHRM2CHRM4
SCHEMBL7976952 0.70 ALDH1A1 (0.50) PPARGALDH1A1GAAFABP7FABP5
SCHEMBL6804299 0.70 P2RX4 (0.46) PPARGALDH1A1TSHRCACNA1FCACNA1D
SCHEMBL30901541 0.69 POLB (0.42) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL1196057 0.69 ALDH1A1 (0.49) ALDH1A1TSHRCHRM2CHRM4CHRM5
SCHEMBL14590458 0.69 TSHR (0.50) ALDH1A1TSHRCHRM2CHRM4CHRM5

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