SCHEMBL1790339

SCHEMBL1790339

CC(C)(C)c1cccc(OC(=O)OC(F)CF)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
SOD1 P00441 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
FFAR1 O14842 3/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP3A4 P08684 1/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL1791500 0.86 SMN1; SMN2 (0.34) ACHETRPV1
SCHEMBL1787643 0.85 ACHE (0.48) ACHESOD1TRPV1FFAR1TRPA1
SCHEMBL1790482 0.83 SMN1; SMN2 (0.47) TRPV1LMNAHTTL3MBTL1NR4A2
SCHEMBL1790297 0.81 KDM4E (0.35) LMNAPOLBL3MBTL1
SCHEMBL1791336 0.81 SCN9A (0.36) ACHELMNA
SCHEMBL1793606 0.80 TRPV1 (0.43) ACHESOD1TRPV1FFAR1TRPA1
SCHEMBL1791203 0.76 TRPV1 (0.42) ACHETRPV1FFAR1L3MBTL1TRPA1
SCHEMBL1790875 0.76 ACHE (0.47) ACHESOD1TRPV1TRPA1ATM
SCHEMBL1792489 0.75 ELANE (0.51) ACHESOD1TRPV1LMNATRPA1
SCHEMBL1791036 0.75 CA2 (0.44) ACHESOD1TRPV1FFAR1TRPA1

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