SCHEMBL1246352

SCHEMBL1246352

CC(C)OC(=O)[C@H]1CCCC[C@H]1C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 2/20 0.37
PDE4B Q07343 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL1245703 1.00 TSHR (0.40) TSHRTP53CYP3A4POLBNPSR1
SCHEMBL1169668 1.00 TSHR (0.40) TSHRTP53CYP3A4POLBNPSR1
SCHEMBL1245700 1.00 TSHR (0.40) TSHRTP53CYP3A4POLBNPSR1
SCHEMBL1170184 0.98 TSHR (0.39) TSHRTP53CYP3A4POLBNPSR1
SCHEMBL1169927 0.95 TSHR (0.40) TSHRTP53CYP3A4POLBNPSR1
SCHEMBL30553085 0.92 ACE (0.41)
SCHEMBL1296538 0.92 SLC6A2 (0.40) TSHRTP53CYP3A4POLBNPSR1
SCHEMBL1297088 0.92 ACE (0.41)
SCHEMBL3288846 0.87 EPHX1 (0.50) TSHRTP53CYP3A4POLBNPSR1
SCHEMBL15071073 0.87 TSHR (0.34) TSHRTP53CYP3A4POLBNPSR1

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