Oxalic Acid

Oxalic Acid

SCHEMBL29142247

CCCCCCCCn1cc[n+](C)c1.O=C(O)C(=O)O.[Br-]

nearest known ligand 0.81

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 0.81
HSP90AA1 P07900 2/20 0.81
KMT2A Q03164 2/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
APAF1 O14727 1/20 0.81
NPC1 O15118 1/20 0.81
PLA2G1B P04054 1/20 0.81
MAPT P10636 1/20 0.81
MAPK1 P28482 1/20 0.81
HTT P42858 1/20 0.81
RAB9A P51151 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
ATG4B Q9Y4P1 1/20 0.81
FDPS P14324 17/20 0.44

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
Bicarbonate SCHEMBL28939213 0.94 MEN1 (0.81) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL28733249 0.94 MEN1 (0.81) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Oxalic Acid SCHEMBL29142244 0.94 SMN1; SMN2 (0.70) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Oxalic Acid SCHEMBL29142274 0.93 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Oxalic Acid SCHEMBL29142316 0.93 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL23698463 0.91 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL23698460 0.91 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL23698438 0.91 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL6265471 0.91 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL5087805 0.90 MEN1 (1.00) 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