Oxalic Acid

Oxalic Acid

SCHEMBL20162291

CC(C)CN.O=C(O)C(=O)O

nearest known ligand 0.48

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
CACNA2D1 P54289 2/20 0.48
CACNB3 P54284 1/20 0.48
CACNA1C Q13936 1/20 0.48
PGR P06401 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
CACNA2D2 Q9NY47 1/20 0.48
GABRR1 P24046 4/20 0.43
SLC7A5 Q01650 1/20 0.43
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GLRA1 P23415 1/20 0.39
SLC6A9 P48067 1/20 0.39
OR51E2 Q9H255 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38

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 SCHEMBL943135 0.90
Bicarbonate SCHEMBL25298921 0.90 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
Carbamic Acid SCHEMBL28649188 0.87
Acetic Acid SCHEMBL7704585 0.87
Oxalic Acid SCHEMBL11468911 0.84 GABRR1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
Acetic Acid SCHEMBL11454635 0.84 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
Succinic Acid SCHEMBL28474785 0.81 LMNA (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
Oxalic Acid SCHEMBL10743890 0.81 ALDH1A1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
Cadaverine Tartrate SCHEMBL27481782 0.79 TSHR (0.56) CACNA2D1CACNB3CACNA1CPGRADRA1A
Methyl Alcohol SCHEMBL27870275 0.78

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322527-A1 METHOD FOR PREPARING BIOSOURCED IONIC LIQUIDS FOR CATALYSIS Université de Bourgogne (FR) 2018-05-23 EP disclosed
CN-1244575-C Sulfonylalkylamido hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2006-03-08 CN disclosed
CN-1204144-C Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2005-06-01 CN disclosed
CN-1178954-C Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G��D��ɪ����˾ 2004-12-08 CN disclosed
CN-1196732-A Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-10-21 CN disclosed
CN-1186499-A Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-07-01 CN disclosed
CN-1183767-A Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-06-03 CN disclosed
CN-1183102-A Heterocyclic carbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 1998-05-27 CN disclosed