Oxalic Acid

Oxalic Acid

SCHEMBL28801176

O=C(O)C(=O)O.O=C(O)CCC(F)(F)F

nearest known ligand 0.42

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Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
EGLN1 Q9GZT9 3/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.42
MAPK1 P28482 1/20 0.39
SLC13A3 Q8WWT9 1/20 0.39
OR51E2 Q9H255 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.37
TSHR P16473 2/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL38157 0.94
SCHEMBL27890788 0.94 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1MAPK1
Hydrochloric Acid SCHEMBL6338625 0.92 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1MAPK1
Oxalic Acid SCHEMBL2420699 0.89 EGLN1 (0.37) LMNAEGLN1ALKBH5SUCNR1MAPK1
Trifluoroacetic Acid SCHEMBL30548554 0.86 ALDH1A1 (0.41) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL15346753 0.79 ACE (0.48) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL311383 0.78 OR51E2 (0.46) EGLN1MAPK1SLC13A3OR51E2
SCHEMBL565341 0.78 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL9437327 0.77 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL12987414 0.77 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1MAPK1

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-101188314-B Ionic compound, electrolytic solution, electrochemical device, and battery SONY CORP 2012-10-03 CN disclosed