SCHEMBL1788929

SCHEMBL1788929

CCc1ccc(C(F)OC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 2/20 0.41
LMNA P02545 3/20 0.41
CYP2C9 P11712 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PLK1 P53350 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 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
SCHEMBL1788927 0.87 ALDH1A1 (0.42) ALDH1A1AKR1C3AKR1C2LMNACYP2C9
SCHEMBL1790369 0.77 ALDH1A1 (0.48) ALDH1A1AKR1C3AKR1C2LMNACYP2C9
SCHEMBL28387238 0.77 CYP2D6 (0.44) ALDH1A1LMNATDP1MAPK1L3MBTL1
SCHEMBL28308177 0.76 ALDH1A1 (0.50) ALDH1A1AKR1C3AKR1C2LMNACYP2C9
SCHEMBL1789916 0.75 NR1H4 (0.43) ALDH1A1AKR1C3AKR1C2LMNACYP2C9
SCHEMBL1790367 0.71 ALDH1A1 (0.49) ALDH1A1AKR1C3AKR1C2LMNAPPARG
SCHEMBL9493331 0.71 SRC (0.54) ALDH1A1AKR1C3AKR1C2LMNACYP2C9
Bicarbonate SCHEMBL29051240 0.71 ALDH1A1 (0.71) ALDH1A1TDP1RXRARXRBPLK1
Bicarbonate SCHEMBL9816065 0.71 ALDH1A1 (0.71) ALDH1A1TDP1RXRARXRBPLK1
SCHEMBL29390746 0.69 PTGS2 (0.69) ALDH1A1AKR1C3AKR1C2LMNACYP2C9

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