SCHEMBL3697482

SCHEMBL3697482

O=C(Oc1ccccc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NSD2 O96028 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL14843184 0.88 ELANE (0.59) ELANEATML3MBTL1TDP1ALOX15
SCHEMBL1401602 0.84 MAPT (0.43) ELANEATML3MBTL1TDP1ALOX15
SCHEMBL28834039 0.84 KMT2A (0.40) ATMHPGDHSD17B10ALDH1A1KDM4E
Diphenyl Ethanedioat SCHEMBL43364 0.82 TDP1 (0.54) ELANEATML3MBTL1TDP1ALOX15
Diphenyl Ethanedioat SCHEMBL27942895 0.81 ELANE (0.53) ELANEATML3MBTL1TDP1ALOX15
Diphenyl Ethanedioat SCHEMBL27328178 0.80 TDP1 (0.52) ELANEATML3MBTL1TDP1ALOX15
SCHEMBL516304 0.80 CA1 (0.36) L3MBTL1TDP1HSD17B10MAPTCA1
Diphenyl Ethanedioat SCHEMBL10797780 0.78 TDP1 (0.50) ELANEATML3MBTL1TDP1ALOX15
SCHEMBL19279555 0.78 NSD2 (0.41) ELANEATML3MBTL1TDP1ALOX15
SCHEMBL5605891 0.77 ALDH1A1 (0.47) ELANEATML3MBTL1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7794876-B2 Pentafluorophenyloxy compound, and nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-09-14 US disclosed
US-20080107969-A1 Pentafluorophenyl Methyl Oxalate; good electrical, cycling and storage properties; reacting pentafluorophenol with ethyl chloroglyoxylate UBE INDUSTRIES, LTD. (JP) 2008-05-08 US disclosed