Oxalic Acid

Oxalic Acid

SCHEMBL7987283

CC(=NO)c1cccc(OCCCc2c[nH]cn2)c1.O=C(O)C(=O)O

nearest known ligand 0.47

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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 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.38
PLA2G4B P0C869 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 5/20 0.37
SMPD1 P17405 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TBXAS1 P24557 1/20 0.36
KAT6A Q92794 1/20 0.36
NSD2 O96028 1/20 0.36
MAPT P10636 1/20 0.36

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 SCHEMBL7987278 1.00 KMT2A (0.41) KMT2AMEN1PLA2G4BALDH1A1MAOB
SCHEMBL4543075 0.94 PRSS1 (0.38) KMT2AMEN1ALDH1A1SMPD1
SCHEMBL4543078 0.94 PRSS1 (0.38) KMT2AMEN1ALDH1A1SMPD1
SCHEMBL7987286 0.86 HIF1A (0.39) KMT2AMEN1ALDH1A1SMPD1MAPT
Oxalic Acid SCHEMBL4378004 0.86 MAOB (0.47) KMT2AMEN1PLA2G4BALDH1A1MAOB
SCHEMBL4379687 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1MAOBSMN1; SMN2
SCHEMBL4543312 0.82 KMT2A (0.49) KMT2AMEN1ALDH1A1MAOBSMPD1
SCHEMBL4383633 0.81 KMT2A (0.45) KMT2APLA2G4BSMPD1
Oxalic Acid SCHEMBL4394339 0.81 CNR1 (0.42) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL647793 0.81 FURIN (0.43) MAPT

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed