SCHEMBL543099

SCHEMBL543099

O=C(O)c1cc(F)c(CO)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 2/20 0.36
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
ALB P02768 1/20 0.34
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ACLY P53396 1/20 0.32
ACMSD Q8TDX5 2/20 0.31
RARB P10826 2/20 0.30

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
SCHEMBL8578094 0.82 GABRP (0.40) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL7006318 0.79 KEAP1 (0.37) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL7006447 0.79 KEAP1 (0.38) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL522378 0.78 SLC6A4 (0.38) KDM4E
Fluoride SCHEMBL28471027 0.76 KEAP1 (0.47) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL503374 0.76 KEAP1 (0.47) KEAP1NFE2L2KDM4EASPHKDM8
Fluoride SCHEMBL6445071 0.76 KEAP1 (0.47) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL29816825 0.76 KEAP1 (0.47) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL16850337 0.76 CES2 (0.42) KEAP1KDM4EASPHKDM8PRKAB2
SCHEMBL10455376 0.74 KEAP1 (0.45) KEAP1NFE2L2KDM4EASPHKDM8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed