Oxalic Acid

Oxalic Acid

SCHEMBL29142240

CCCC[n+]1ccn(C)c1.O=C(O)C(=O)O.[Br-]

nearest known ligand 0.43

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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
SLC6A4 known ✓ P31645 1/20 0.38
HSP90AA1 P07900 4/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
RAD52 P43351 2/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
ERBB2 P04626 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38

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 SCHEMBL29142243 0.94 HSP90AA1 (0.48) HSP90AA1KMT2ASMN1; SMN2MEN1RAD52
Bicarbonate SCHEMBL28941873 0.93 MEN1 (0.42) HSP90AA1KMT2ASMN1; SMN2MEN1CHRM2
Oxalic Acid SCHEMBL29142285 0.92 MEN1 (0.38) HSP90AA1KMT2ASMN1; SMN2MEN1CHRM2
Oxalic Acid SCHEMBL29142362 0.92 MEN1 (0.38) HSP90AA1KMT2ASMN1; SMN2MEN1CHRM2
Oxalic Acid SCHEMBL29142239 0.92 SMN1; SMN2 (0.40) HSP90AA1KMT2ASMN1; SMN2MEN1HTT
Acetic Acid SCHEMBL28547950 0.92 MEN1 (0.44) HSP90AA1KMT2ASMN1; SMN2MEN1CHRM2
SCHEMBL28995062 0.90 MEN1 (0.40) HSP90AA1KMT2ASMN1; SMN2MEN1CHRM2
Bicarbonate SCHEMBL2127090 0.90 MEN1 (0.40) HSP90AA1KMT2ASMN1; SMN2MEN1CHRM2
Acetic Acid SCHEMBL29142230 0.90 MEN1 (0.43) HSP90AA1KMT2ASMN1; SMN2MEN1RAD52
Bromide SCHEMBL193080 0.89

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