SCHEMBL1790791

SCHEMBL1790791

CC1CCCCC1c1ccccc1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 8/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
FABP7 O15540 1/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 5/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
PIN1 Q13526 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL1790790 0.89 TAS1R3 (0.40) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1792111 0.82 PTGDR2 (0.38) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1788170 0.81 PTGDR2 (0.42) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL28006501 0.79 PTGDR2 (0.62) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL17356792 0.79 HTR2C (0.49) KMT2AFABP7FABP3FABP5TAS1R3
SCHEMBL10123010 0.79 HTR2C (0.49) KMT2AFABP7FABP3FABP5TAS1R3
SCHEMBL789205 0.78 PTGDR2 (0.65) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL17685334 0.78 KDM1A (0.37) KMT2ATAS1R3TAS1R1MEN1TSHR
SCHEMBL1787831 0.76 KDM1A (0.36) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL17356800 0.76 HTR2C (0.49) KMT2AMEN1

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