SCHEMBL1788090

SCHEMBL1788090

CC(C)(C)c1ccc(-c2ccccc2COC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.44
FFAR4 Q5NUL3 8/20 0.44
FABP7 O15540 1/20 0.42
FABP3 P05413 1/20 0.42
FABP5 Q01469 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2C Q14957 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM3 P20309 1/20 0.39

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
SCHEMBL1791722 0.87 RXRB (0.42) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL1788082 0.85 RXRA (0.47) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL7618738 0.84 KMT2A (0.55) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL1790371 0.81 FFAR1 (0.51) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL1788906 0.79 RXRA (0.40) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL13814945 0.77 NPC1 (0.43) L3MBTL1NR1H4ALDH1A1SMN1; SMN2
SCHEMBL28771241 0.75 FFAR1 (0.44) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL1791676 0.75 PPARG (0.35) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL5067098 0.74 ALDH1A1 (0.56) FFAR1FFAR4FABP7FABP3FABP5
SCHEMBL1787510 0.74 RXRA (0.44) NPSR1TDP1ALDH1A1

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