SCHEMBL28064177

SCHEMBL28064177

O=S(=O)(O)S(=O)(=O)OCc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MMP2 P08253 2/20 0.42
MMP12 P39900 2/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
ALKBH1 Q13686 1/20 0.36
RIPK1 Q13546 1/20 0.36
RORC P51449 3/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL28064274 0.75 MAOB (0.44) RIPK1CES2CES1CA9MAOB
SCHEMBL28064189 0.73 AKR1B1 (0.38) MMP2MMP12MMP1MMP9ALKBH1
SCHEMBL25462640 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28064180 0.72 IDO1 (0.45) MMP2MMP12MMP1MMP9IDO1
SCHEMBL28827937 0.70 MMP1 (0.40) MMP2MMP12MMP1MMP9ALKBH1
SCHEMBL13034155 0.69 MMP2 (0.54) MMP2MMP12MMP1MMP9ALKBH1
SCHEMBL16914860 0.69 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12016019 0.69 IDO1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15544922 0.68 MMP2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3870948 0.68 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-103748730-B Nonaqueous electrolyte solution and electricity storage device using same 宇部兴产株式会社 2016-06-08 CN disclosed