SCHEMBL1789567

SCHEMBL1789567

CC(C)(C)c1cc(C(F)OC(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.39
RXRA P19793 7/20 0.39
RXRG P48443 4/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ACHE P22303 2/20 0.37
CD69 Q07108 2/20 0.35
ELANE P08246 1/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1790839 0.90 AKR1C3 (0.33) RXRBRXRARXRGACHECD69
SCHEMBL1786834 0.88 AKR1C3 (0.36) RXRBRXRARXRGACHEAKR1C3
SCHEMBL1789565 0.87 GABRA1 (0.39) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL1789498 0.83 ACHE (0.50) RXRBRXRAACHE
SCHEMBL1789916 0.82 NR1H4 (0.43) ACHEAKR1C3AKR1C2SMN1; SMN2MAPT
SCHEMBL1788872 0.80 RXRB (0.40) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL1790838 0.78 MEN1 (0.35) GABRA1GABRB2ACHEAKR1C3AKR1C2
SCHEMBL1786832 0.76 MAPT (0.36) RXRBRXRARXRGACHEAKR1C3
SCHEMBL1791719 0.75 IDO1 (0.43) RXRBRXRARXRGCYP3A4MAPT
SCHEMBL1789984 0.73 AKR1C3 (0.36) RXRBRXRARXRGACHECD69

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