SCHEMBL1245693

SCHEMBL1245693

CC1CC(C(=O)OC(C)C)CC(C(=O)OC(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
ITGA5 P08648 1/20 0.31
CHRNB1 P11230 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL27398397 0.98 TSHR (0.39) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27812123 0.92 TSHR (0.32) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1296963 0.91 TSHR (0.43) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19604909 0.84 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14472319 0.83 EPHX1 (0.38) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28518514 0.83 TSHR (0.37) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1244593 0.82 POLB (0.41) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19728885 0.80 AAK1 (0.34) TSHRLMNA
SCHEMBL3290523 0.80 AAK1 (0.34) TSHRLMNA
SCHEMBL19728878 0.80 AAK1 (0.34) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593175-B2 Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS, INC. (JP) 2017-03-14 US disclosed
EP-2264075-B1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD MITSUI CHEMICALS INC (JP) 2016-05-25 EP disclosed
CN-101983211-B Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS INC 2013-05-29 CN disclosed
CN-101842396-B Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization method MITSUI CHEMICALS INC 2013-03-20 CN disclosed
US-8383541-B2 Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS, INC. (JP) 2013-02-26 US disclosed
US-20110269924-A1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD MITSUI CHEMICALS, INC. 2011-11-03 US disclosed
CN-101983211-A Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS INC 2011-03-02 CN disclosed
US-20110034648-A1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD MITSUI CHEMICALS (JP) 2011-02-10 US disclosed
EP-2264075-A1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD Mitsui Chemicals, Inc. (JP) 2010-12-22 EP disclosed
CN-101842396-A Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization method MITSUI CHEMICALS INC 2010-09-22 CN disclosed