Oxalic Acid

Oxalic Acid

SCHEMBL10566732

Cc1nc(C)c(C(=O)O)c(-c2cc([N+](=O)[O-])ccc2OCCCCNCCCOc2ccccc2)c1C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.49

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 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ HTT P42858 2/20 0.47
▸ MAPK1 P28482 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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 SCHEMBL10566726 1.00 DRD2 (0.49) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL10566765 0.98 DRD2 (0.51) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL10566772 0.98 DRD2 (0.51) DRD2DRD4DRD3ALDH1A1HTT
Oxalic Acid SCHEMBL10567216 0.93 ALDH1A1 (0.48) DRD2DRD4DRD3ALDH1A1HTT
Oxalic Acid SCHEMBL10567218 0.93 ALDH1A1 (0.48) DRD2DRD4DRD3ALDH1A1HTT
Oxalic Acid SCHEMBL10577726 0.92 ALDH1A1 (0.46) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL10565925 0.91 DRD2 (0.49) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL10577903 0.90 ALDH1A1 (0.43) DRD2DRD4DRD3ALDH1A1HTT
Oxalic Acid SCHEMBL10566281 0.90 ATM (0.46) ALDH1A1HTTMAPK1CYP2D6KDM4E
Oxalic Acid SCHEMBL10566243 0.90 ATM (0.46) ALDH1A1HTTMAPK1CYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4843085-A LOCAL ANESTHETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 — — US disclosed
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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