Oxalic Acid

Oxalic Acid

SCHEMBL9728854

O=C(O)C(=O)O.O=C1CC(O)C(=O)N1

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
MAP3K14 Q99558 1/20 0.43
MEN1 O00255 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRBN Q96SW2 4/20 0.36
ITGB3 P05106 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGAV P06756 2/20 0.34
ITGB2 P05107 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.33
ITGA4 P13612 1/20 0.31
DDB1 Q16531 3/20 0.31

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
Bicarbonate SCHEMBL14918 0.93 MAP3K14 (0.44) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL15494454 0.91
SCHEMBL11288 0.91
Acetic Acid SCHEMBL1034775 0.89 CRBN (0.44) MAP3K14MEN1APEX1KMT2ATDP1
SCHEMBL7530545 0.89 MAP3K14 (0.41) MAP3K14MEN1APEX1KMT2ATDP1
Carbamic Acid SCHEMBL2782197 0.89 MEN1 (0.42) MAP3K14MEN1APEX1KMT2ATDP1
Ammonia Solution, Strong SCHEMBL25176856 0.88
Phosphine SCHEMBL22345181 0.88
SCHEMBL31244467 0.88
SCHEMBL320576 0.88

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-5082942-A NOVEL DERIVATIVES OF TETRAHYDRO-2,3,6,7,1H,5H,11H-(1)BENZOPYRANO(6,7,8,IJ)QUINOLIZINONE-11 USABLE AS MARKERS OF ORGANIC COMPOUNDS FOR THE DETECTION OF SAID COMPOUNDS BY CHEMILUMINESCENCE OR FLUORESCENCE LABORATORIES EUROBIO (FR) 1992-01-21 US disclosed