Oxalic Acid

Oxalic Acid

SCHEMBL10577726

Cc1nc(C)c(C(=O)O)c(-c2cc([N+](=O)[O-])ccc2OCCCCNCCCOc2ccccc2O)c1C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.46

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 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 8/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL10577903 0.98 ALDH1A1 (0.43) ALDH1A1HTTKDM4EGAAL3MBTL1
Oxalic Acid SCHEMBL10566732 0.92 DRD2 (0.49) ALDH1A1HTTKDM4EGAAMAPT
Oxalic Acid SCHEMBL10566726 0.92 DRD2 (0.49) ALDH1A1HTTKDM4EGAAMAPT
SCHEMBL10566765 0.90 DRD2 (0.51) ALDH1A1HTTKDM4EGAAMAPT
SCHEMBL10566772 0.90 DRD2 (0.51) ALDH1A1HTTKDM4EGAAMAPT
Oxalic Acid SCHEMBL10567218 0.85 ALDH1A1 (0.48) ALDH1A1HTTKDM4EGAAL3MBTL1
Oxalic Acid SCHEMBL10567216 0.85 ALDH1A1 (0.48) ALDH1A1HTTKDM4EGAAL3MBTL1
Oxalic Acid SCHEMBL10566281 0.83 ATM (0.46) ALDH1A1HTTKDM4EMAPTKMT2A
Oxalic Acid SCHEMBL10566243 0.83 ATM (0.46) ALDH1A1HTTKDM4EMAPTKMT2A
SCHEMBL10565925 0.83 DRD2 (0.49) ALDH1A1HTTKDM4EGAAMAPT

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
EP-0297613-A2 Pyridine derivatives, process for production thereof and pharmaceutical composition containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-01-04 — — EP disclosed
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