SCHEMBL1246337

SCHEMBL1246337

CC(C)OC(=O)C1CCCC(C)C(C)C1C(=O)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
ITGA5 P08648 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACE P12821 1/20 0.30

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
SCHEMBL1196855 0.90 EPHX1 (0.37) EPHX1SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL1196238 0.90 SLC6A4 (0.35) SLC6A4SLC6A3CHRNA1CHRNGITGA5
SCHEMBL1245721 0.86 EPHX1 (0.41) EPHX1SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL1297387 0.86 TSHR (0.36) SLC6A4SLC6A3CHRNA1CHRNGITGA5
SCHEMBL14472355 0.84 EPHX1 (0.45) EPHX1ALDH1A1MAPTPOLBNPSR1
SCHEMBL27690031 0.83 ACE (0.36) EPHX1ALDH1A1MAPTPOLBNPSR1
SCHEMBL1245696 0.82 TSHR (0.36) SLC6A4SLC6A3CHRNA1CHRNGITGA5
SCHEMBL1246381 0.81 SLC6A2 (0.33) SLC6A4SLC6A3CHRNA1CHRNGITGA5
SCHEMBL3288846 0.80 EPHX1 (0.50) EPHX1ALDH1A1MAPTPOLBNPSR1
SCHEMBL27690042 0.80 PPP5C (0.35) SLC6A4SLC6A3CHRNA1CHRNGITGA5

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