SCHEMBL1789019

SCHEMBL1789019

CCCC(C)(C)OC(=O)Oc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
SSTR4 P31391 1/20 0.37
MAOB P27338 1/20 0.36
RIPK1 Q13546 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1789548 0.89 ESR1 (0.44) ESR1ESR2PPARGPPARAMRGPRX4
SCHEMBL1790929 0.85 CYP4F2 (0.40) RIPK1
SCHEMBL1788621 0.83 SOD1 (0.39) PPARGPOLBCYP3A4
SCHEMBL1790202 0.82 ELANE (0.45) MEN1KMT2AMAOBRIPK1
SCHEMBL1789018 0.82 ELANE (0.51) ESR1ESR2PPARGPPARAMRGPRX4
SCHEMBL11620191 0.77 MAOB (0.37) PPARGPPARAMRGPRX4MAOB
SCHEMBL5487011 0.77 ESR1 (0.54) ESR1ESR2PPARGPPARAMRGPRX4
SCHEMBL1788901 0.76 POLB (0.47) ESR1ESR2PPARGPPARAMRGPRX4
SCHEMBL1791117 0.75 RIPK1 (0.36) RIPK1
SCHEMBL1790277 0.74 FAAH (0.43) HPGDMEN1ALDH1A1KMT2ASSTR4

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