SCHEMBL1787753

SCHEMBL1787753

CCC(C)(C)c1cccc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
CYP2C9 P11712 1/20 0.49
MDH1 P40925 3/20 0.48
MDH2 P40926 3/20 0.48
TSHR P16473 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BRAF P15056 1/20 0.44
ACHE P22303 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL18517387 0.88 CNR2 (0.53) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL27886595 0.87 NPC1 (0.49) RAB9APOLBNPC1CYP2C9MDH1
SCHEMBL1788857 0.86 CYP4F2 (0.51) CYP4F2CYP4A11RAB9APOLBNPC1
SCHEMBL4443803 0.86 LOXL2 (0.58) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL1787501 0.83 ACHE (0.59) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL2892597 0.83 TSHR (0.53) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL1791091 0.82 NPC1 (0.54) RAB9APOLBNPC1CYP2C9ALDH1A1
SCHEMBL19254595 0.82 LOXL2 (0.47) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL548002 0.81 TSHR (0.52) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL120251 0.81 NPC1 (0.64) RAB9APOLBNPC1CYP2C9CA12

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