SCHEMBL1790386

SCHEMBL1790386

CC(C)(C)c1ccccc1C(C)(C)OC(=O)OC(C)(C)c1ccccc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
CA2 P00918 1/20 0.41
ATM Q13315 1/20 0.41
RBP4 P02753 5/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
BCHE P06276 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NAMPT P43490 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD11B1 P28845 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
SCHEMBL1790388 0.86 TDP1 (0.44) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL7949339 0.82 GABRA1 (0.39) ALDH1A1TDP1TSHRATMKDM4E
SCHEMBL28773102 0.81 TDP1 (0.49) ALDH1A1TDP1TSHRATMRBP4
SCHEMBL1788771 0.80 KCNN4 (0.43) ALDH1A1KDM4EGAABCHECYP2C19
SCHEMBL984512 0.79 GABRA1 (0.42) ALDH1A1GABRA1GABRB2CYP2C19HIF1A
SCHEMBL1791488 0.78 GLRA3 (0.42) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL5656237 0.78 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCA2ATM
Bicarbonate SCHEMBL28291099 0.77 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2ATM
SCHEMBL29763577 0.77 MAPT (0.42) ALDH1A1TDP1TSHRATMRBP4
SCHEMBL1421189 0.76 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCA2ATM

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