Oxalic Acid

Oxalic Acid

SCHEMBL10693334

CN(C)CCc1c[nH]c2ccc(/C=C/S(=O)(=O)NC3CCCC3)cc12.O=C(O)C(=O)O

nearest known ligand 0.50

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 0.44
KMT2A Q03164 2/20 0.50
HTR1A P08908 7/20 0.48
HTR1D P28221 6/20 0.48
HTR1B P28222 6/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR7 P34969 3/20 0.46
HTR5A P47898 3/20 0.46
HTR6 P50406 2/20 0.46
HTR2A P28223 5/20 0.45
HTR2B P41595 4/20 0.45
HTR2C P28335 3/20 0.45

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 SCHEMBL10693343 1.00 KMT2A (0.50) KMT2AHTR1AHTR1DHTR1BLMNA
Oxalic Acid SCHEMBL10693415 0.85 KMT2A (0.53) KMT2AHTR1AHTR1DHTR1BLMNA
Oxalic Acid SCHEMBL10691194 0.83 KMT2A (0.59) KMT2AHTR1AHTR1DHTR1BLMNA
Oxalic Acid SCHEMBL10691201 0.83 KMT2A (0.59) KMT2AHTR1AHTR1DHTR1BLMNA
Oxalic Acid SCHEMBL10693485 0.82 KMT2A (0.58) KMT2AHTR1AHTR1DHTR1BLMNA
Oxalic Acid SCHEMBL10693498 0.82 KMT2A (0.58) KMT2AHTR1AHTR1DHTR1BLMNA
SCHEMBL10690040 0.81 HTR6 (0.63) KMT2AHTR1AHTR1DHTR1BLMNA
SCHEMBL10690033 0.81 HTR6 (0.63) KMT2AHTR1AHTR1DHTR1BLMNA
Oxalic Acid SCHEMBL10695806 0.80 HTR1A (0.56) KMT2AHTR1AHTR1DHTR1BLMNA
SCHEMBL10692575 0.78 HTR6 (0.56) KMT2AHTR1AHTR1DHTR1BLMNA

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