Oxalic Acid

Oxalic Acid

SCHEMBL10691857

CNS(=O)(=O)C/C=C/c1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)C(=O)O

nearest known ligand 0.59

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 0.48
HTR1D P28221 8/20 0.59
HTR1B P28222 8/20 0.59
HTR1A P08908 7/20 0.59
HTR7 P34969 3/20 0.59
HTR5A P47898 3/20 0.59
HTR2A P28223 3/20 0.59
HTR2C P28335 3/20 0.59
HTR2B P41595 2/20 0.59
HTR1E P28566 1/20 0.59
HTR1F P30939 1/20 0.59
HTR3A P46098 1/20 0.59
SLC47A1 Q96FL8 1/20 0.59
HTR6 P50406 3/20 0.55
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51

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 SCHEMBL10691866 1.00 HTR1D (0.59) HTR1DHTR1BHTR1AHTR7HTR5A
Oxalic Acid SCHEMBL10691201 0.83 KMT2A (0.59) HTR1DHTR1BHTR1AHTR7HTR5A
Oxalic Acid SCHEMBL10691194 0.83 KMT2A (0.59) HTR1DHTR1BHTR1AHTR7HTR5A
Oxalic Acid SCHEMBL10693498 0.82 KMT2A (0.58) HTR1DHTR1BHTR1AHTR7HTR5A
Oxalic Acid SCHEMBL10693485 0.82 KMT2A (0.58) HTR1DHTR1BHTR1AHTR7HTR5A
SCHEMBL10690040 0.80 HTR6 (0.63) HTR1DHTR1BHTR1AHTR7HTR5A
SCHEMBL10690033 0.80 HTR6 (0.63) HTR1DHTR1BHTR1AHTR7HTR5A
Oxalic Acid SCHEMBL9800389 0.80 HTR1A (0.72) HTR1DHTR1BHTR1AHTR7HTR5A
Oxalic Acid SCHEMBL10693415 0.80 KMT2A (0.53) HTR1DHTR1BHTR1AHTR7HTR5A
Oxalic Acid SCHEMBL10691878 0.78 HTR1A (0.70) HTR1DHTR1BHTR1AHTR7HTR5A

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