Oxalic Acid

Oxalic Acid

SCHEMBL10693485

CN(C)CCc1c[nH]c2ccc(/C=C/S(N)(=O)=O)cc12.O=C(O)C(=O)O

nearest known ligand 0.58

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.52
KMT2A Q03164 1/20 0.58
HTR1B P28222 8/20 0.53
HTR1A P08908 7/20 0.53
HTR2A P28223 4/20 0.53
HTR2C P28335 3/20 0.53
HTR7 P34969 3/20 0.53
HTR5A P47898 3/20 0.53
HTR2B P41595 3/20 0.53
HTR6 P50406 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
MAOA P21397 1/20 0.53
ADRA1D P25100 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
ADRA1B P35368 1/20 0.53

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 SCHEMBL10693498 1.00 KMT2A (0.58) KMT2AHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL10691194 0.90 KMT2A (0.59) KMT2AHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL10691201 0.90 KMT2A (0.59) KMT2AHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL10693415 0.85 KMT2A (0.53) KMT2AHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL10693334 0.82 KMT2A (0.50) KMT2AHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL10693343 0.82 KMT2A (0.50) KMT2AHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL10691866 0.82 HTR1D (0.59) KMT2AHTR1BHTR1AHTR2AHTR2C
Oxalic Acid SCHEMBL10691857 0.82 HTR1D (0.59) KMT2AHTR1BHTR1AHTR2AHTR2C
SCHEMBL10690040 0.81 HTR6 (0.63) KMT2AHTR1BHTR1AHTR2AHTR2C
SCHEMBL10690033 0.81 HTR6 (0.63) KMT2AHTR1BHTR1AHTR2AHTR2C

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
US-4785016-A VASOCONSTRICTION, MIGRAINES ALKANEAMINO, ALKANE SULFONAMIDE INDOLES GLAXO GROUP LIMITED (GB) 1988-11-15 US disclosed