Oxalic Acid

Oxalic Acid

SCHEMBL10692082

COc1ccc(CNS(=O)(=O)CCc2ccc3[nH]cc(CCN(C)C)c3c2)cc1.O=C(O)C(=O)O

nearest known ligand 0.66

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
KMT2A Q03164 1/20 0.66
HTR1D P28221 10/20 0.59
HTR1B P28222 9/20 0.59
HTR1A P08908 7/20 0.59
CYP1A2 P05177 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PMP22 Q01453 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTR2A P28223 3/20 0.55
HTR2C P28335 2/20 0.55
HTR1E P28566 2/20 0.55
HTR1F P30939 2/20 0.55
HTR7 P34969 2/20 0.55
HTR2B P41595 2/20 0.55

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
SCHEMBL10465885 0.88 HTR1D (0.70) KMT2AHTR1DHTR1BHTR1ACYP1A2
Oxalic Acid SCHEMBL10694420 0.86 HTR1A (0.61) KMT2AHTR1DHTR1BHTR1ALMNA
Oxalic Acid SCHEMBL9800389 0.84 HTR1A (0.72) KMT2AHTR1DHTR1BHTR1ALMNA
Oxalic Acid SCHEMBL10691528 0.83 HTR1D (0.69) KMT2AHTR1DHTR1BHTR1ACYP1A2
Oxalic Acid SCHEMBL10691544 0.83 HTR1D (0.69) KMT2AHTR1DHTR1BHTR1ACYP1A2
Oxalic Acid SCHEMBL10693634 0.83 HTR1A (0.57) KMT2AHTR1DHTR1BHTR1ALMNA
Oxalic Acid SCHEMBL10691226 0.81 HTR1D (0.60) KMT2AHTR1DHTR1BHTR1ALMNA
SCHEMBL8967257 0.81 HTR1A (0.67) HTR1DHTR1BHTR1ALMNAHTR2A
Mebufotenin SCHEMBL7205139 0.80 KMT2A (1.00) KMT2AHTR1DHTR1BHTR1ACYP1A2
Oxalic Acid SCHEMBL10464734 0.80 HTR1A (0.64) KMT2AHTR1DHTR1BHTR1ACYP1A2

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