SCHEMBL1788545

SCHEMBL1788545

CC(C)(C)OC(=O)Oc1cc(F)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
KDM1A O60341 1/20 0.35
CA2 P00918 1/20 0.35
SCN9A Q15858 1/20 0.33
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 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
SCHEMBL1789411 0.88 ELANE (0.53) ELANECYP4F2CYP4A11KDM1ACA2
SCHEMBL1790890 0.88 ELANE (0.53) ELANEKDM1ACA2MAPTMEN1
SCHEMBL1790114 0.85 CYP4F2 (0.37) ELANECYP4F2CYP4A11SCN9ACTSD
SCHEMBL1790638 0.82 ELANE (0.47) ELANEKDM1ACA2MAPTMEN1
SCHEMBL1789027 0.80 SCN9A (0.38) ELANECYP4F2CYP4A11SCN9ACTSD
SCHEMBL4055058 0.78 ELANE (0.62) ELANEKDM1ACA2MAPTMEN1
SCHEMBL1789794 0.78 ELANE (0.39) ELANEMAPTMEN1NPC1HTT
SCHEMBL1791336 0.77 SCN9A (0.36) ELANECYP4F2CYP4A11SCN9ACTSD
SCHEMBL17410677 0.76 ELANE (0.51) ELANECYP4F2CYP4A11KDM1ACA2
SCHEMBL1789018 0.75 ELANE (0.51) ELANEKDM1ACA2MEN1NPC1

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
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed