Oxalic Acid

Oxalic Acid

SCHEMBL28119765

CCO.O=C(O)C(=O)O.[Na+].[OH-]

nearest known ligand 0.46

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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
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
FFAR3 O14843 4/20 0.44
OR51E2 Q9H255 1/20 0.39
ALOX15 P16050 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
TDP1 Q9NUW8 3/20 0.35
THPO P40225 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
Oxalic Acid SCHEMBL9316610 0.92
Oxalic Acid SCHEMBL29749157 0.92 ALDH1A1 (0.55) ALDH1A1TSHRFFAR3OR51E2ALOX15
Oxalic Acid SCHEMBL29240051 0.88 ALDH1A1 (0.50) ALDH1A1TSHRFFAR3OR51E2ALOX15
Oxalic Acid SCHEMBL27753066 0.88 ALDH1A1 (0.50) ALDH1A1TSHRFFAR3OR51E2ALOX15
Oxalic Acid SCHEMBL27598423 0.88 ALDH1A1 (0.50) ALDH1A1TSHRFFAR3OR51E2ALOX15
Alcohol SCHEMBL28095006 0.83
Bicarbonate SCHEMBL4489032 0.79
Bicarbonate SCHEMBL3833090 0.79 ALDH1A1 (0.60) ALDH1A1TSHRFFAR3OR51E2HDAC1
Bicarbonate SCHEMBL28760009 0.79 ALDH1A1 (0.60) ALDH1A1TSHRFFAR3OR51E2HDAC1
Bicarbonate SCHEMBL28807965 0.79 ALDH1A1 (0.60) ALDH1A1TSHRFFAR3OR51E2HDAC1

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-106186236-A A kind of containing ferric chloride, the sewage-treating agent of iron sulfate 临沂润达水务有限公司 2016-12-07 CN disclosed