SCHEMBL1789188

SCHEMBL1789188

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
RXRA P19793 7/20 0.45
RXRB P28702 7/20 0.45
RXRG P48443 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 1/20 0.40
CD69 Q07108 1/20 0.40
HMGCR P04035 1/20 0.39
NR4A2 P43354 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL1790405 0.88 MEN1 (0.46) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL1790738 0.87 MAPT (0.40) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL1789187 0.86 GABRA1 (0.46) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL1282261 0.83 GABRA1 (0.43) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL1788403 0.82 MRGPRX4 (0.50) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL1788868 0.81 RXRB (0.44) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL1788830 0.81 NR4A2 (0.57) RXRARXRBRXRGSMN1; SMN2MEN1
SCHEMBL1789826 0.79 RXRA (0.42) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL6403668 0.78 GAA (0.53) SMN1; SMN2MEN1KMT2AHMGCRALDH1A1
SCHEMBL10559529 0.78 CD69 (0.49) GABRA1GABRB2RXRARXRBRXRG

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