SCHEMBL1786834

SCHEMBL1786834

COc1cc(C(F)OC(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
MAPT P10636 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NPC1 O15118 1/20 0.33
STAT1 P42224 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 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
SCHEMBL1786832 0.90 MAPT (0.36) AKR1C3AKR1C2MAPTCA1CA2
SCHEMBL1789567 0.88 RXRB (0.39) AKR1C3AKR1C2MAPTLMNAMAPK1
SCHEMBL1792725 0.84 CA1 (0.39) AKR1C3AKR1C2MAPTCA1CA2
SCHEMBL1790839 0.82 AKR1C3 (0.33) AKR1C3AKR1C2MAPTLMNAMAPK1
SCHEMBL1789565 0.76 GABRA1 (0.39) AKR1C3AKR1C2MAPTLMNAMAPK1
SCHEMBL1792721 0.76 CA1 (0.40) AKR1C3AKR1C2MAPTCA1CA2
SCHEMBL1789498 0.76 ACHE (0.50) RXRARXRBACHE
SCHEMBL1789916 0.74 NR1H4 (0.43) AKR1C3AKR1C2MAPTLMNAMAPK1
SCHEMBL25468629 0.72 CA1 (0.39) MAPTCA1CA2LMNAMAPK1
SCHEMBL1790838 0.71 MEN1 (0.35) AKR1C3AKR1C2MAPTLMNAMAPK1

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