SCHEMBL1244534

SCHEMBL1244534

CC1CCCC(C(=O)OC(C)C)C(C(=O)OC(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.40
TRPM8 Q7Z2W7 2/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
ITGA5 P08648 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 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
SCHEMBL1196413 0.90 EPHX1 (0.47) EPHX1TRPM8POLBNPSR1TSHR
SCHEMBL1169927 0.88 TSHR (0.40) EPHX1POLBNPSR1TSHRCHRM2
SCHEMBL1245703 0.84 TSHR (0.40) EPHX1POLBNPSR1TSHR
SCHEMBL1169668 0.84 TSHR (0.40) EPHX1POLBNPSR1TSHR
SCHEMBL1245700 0.84 TSHR (0.40) EPHX1POLBNPSR1TSHR
SCHEMBL1244593 0.84 POLB (0.41) EPHX1TRPM8POLBNPSR1TSHR
SCHEMBL1246352 0.84 TSHR (0.40) EPHX1POLBNPSR1TSHR
SCHEMBL27709920 0.84 EPHX1 (0.42) EPHX1TRPM8POLBNPSR1TSHR
SCHEMBL1170184 0.82 TSHR (0.39) EPHX1POLBNPSR1TSHR
SCHEMBL3290523 0.81 AAK1 (0.34) EPHX1TSHRCHRM2CHRM4CHRM3

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 6 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
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
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