SCHEMBL1788872

SCHEMBL1788872

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.40
RXRA P19793 7/20 0.40
RXRG P48443 4/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ELANE P08246 1/20 0.36
CD69 Q07108 1/20 0.36
HMGCR P04035 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
SMN1; SMN2 Q16637 2/20 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

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
SCHEMBL1789984 0.89 AKR1C3 (0.36) RXRBRXRARXRGELANECD69
SCHEMBL1792725 0.87 CA1 (0.39) AKR1C3AKR1C2SMN1; SMN2MAPTALOX15
SCHEMBL1788867 0.87 GABRA1 (0.40) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL1787680 0.83 ACHE (0.44) RXRBRXRAHCAR2HDAC8
SCHEMBL1788421 0.81 NR1H4 (0.47) NR1H4HCAR2AKR1C3AKR1C2SMN1; SMN2
SCHEMBL1789567 0.80 RXRB (0.39) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL1789978 0.76 MEN1 (0.35) GABRA1GABRB2AKR1C3AKR1C2SMN1; SMN2
SCHEMBL1791719 0.76 IDO1 (0.43) RXRBRXRARXRGCYP3A4MAPT
SCHEMBL1792721 0.75 CA1 (0.40) AKR1C3AKR1C2SMN1; SMN2TP53MAPT
SCHEMBL11211561 0.75 AKR1C3 (0.50) RXRBRXRARXRGGABRA1GABRB2

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