Oxalic Acid

Oxalic Acid

SCHEMBL29142245

CC(=O)[O-].CCCCn1cc[n+](C)c1.O=C(O)C(=O)O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

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 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
HSP90AA1 P07900 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
APAF1 O14727 1/20 0.59
NPC1 O15118 1/20 0.59
PLA2G1B P04054 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
FDPS P14324 17/20 0.42

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
Acetic Acid SCHEMBL35016 0.95 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Oxalic Acid SCHEMBL29142274 0.94 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL2127082 0.92 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Oxalic Acid SCHEMBL29142244 0.92 SMN1; SMN2 (0.70) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Oxalic Acid SCHEMBL29142360 0.91 SMN1; SMN2 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Acetic Acid SCHEMBL15170575 0.91 MEN1 (0.73) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL5032085 0.91 SMN1; SMN2 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Maleic Acid SCHEMBL29142267 0.90 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Acetic Acid SCHEMBL29142263 0.90 MEN1 (0.71) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Acetic Acid SCHEMBL23004172 0.89 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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-117440991-A Polysiloxane composition 默克专利有限公司 2024-01-23 CN disclosed