SCHEMBL1792111

SCHEMBL1792111

O=C(O)Oc1ccccc1C1CCCC1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT3 P40763 1/20 0.37
LMNA P02545 1/20 0.35
FABP7 O15540 1/20 0.34
FABP3 P05413 1/20 0.34
FABP5 Q01469 1/20 0.34
MEN1 O00255 3/20 0.34
KDM1A O60341 2/20 0.33
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR2C P28335 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 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
SCHEMBL1792109 0.89 PTGDR2 (0.36) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1790791 0.82 PTGDR2 (0.41) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1787831 0.82 KDM1A (0.36) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL28006501 0.76 PTGDR2 (0.62) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1788170 0.75 PTGDR2 (0.42) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL789205 0.74 PTGDR2 (0.65) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1790790 0.71 TAS1R3 (0.40) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1787829 0.71 KDM1A (0.34) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL143632 0.68 KDM4E (0.46) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL28136046 0.67 PARP1 (0.44) KMT2AALDH1A1LMNAMEN1HTR2C

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