SCHEMBL1787901

SCHEMBL1787901

CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)cc1COC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.34
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GAA P10253 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
ATM Q13315 1/20 0.32
NR1H4 Q96RI1 2/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 4/20 0.31
ALOX15 P16050 2/20 0.31
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
NR4A3 Q92570 1/20 0.31

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
SCHEMBL1787900 0.87 GLRA3 (0.37) GLRA3GLRBMRGPRX4PTGDR2GPR55
SCHEMBL18585649 0.86 GLRA3 (0.36) GLRA3GLRBMRGPRX4PTGDR2GABBR2
SCHEMBL1788155 0.82 GLRA3 (0.38) GLRA3GLRBMRGPRX4PTGDR2GABBR2
SCHEMBL27869482 0.81 ALDH1A1 (0.40) GLRA3GLRBGPR55TDP1ALDH1A1
SCHEMBL1788889 0.80 GLRA3 (0.36) GLRA3GLRBMRGPRX4PTGDR2GABBR2
SCHEMBL27885836 0.80 CYP2C19 (0.40) MRGPRX4RXRARXRBRXRGTDP1
SCHEMBL2974514 0.79 ALDH1A1 (0.39) TDP1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL2974516 0.79 ALDH1A1 (0.39) TDP1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL28552617 0.78 IDO1 (0.44) MRGPRX4ALDH1A1ALOX15MAPTSMN1; SMN2
SCHEMBL1791676 0.78 PPARG (0.35) GLRA3GLRBMRGPRX4RXRARXRB

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