Oxalic Acid

Oxalic Acid

SCHEMBL9205972

CCOC(=O)c1cc(=O)c2cc(OCCCN3CCN(c4cc(=O)n(C)c(=O)n4C)CC3)ccc2o1.O=C(O)C(=O)O

nearest known ligand 0.51

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 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.50
MAOB P27338 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC2A1 P11166 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ACHE P22303 1/20 0.43

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 SCHEMBL9205207 0.94 SLC2A1 (0.51) SLC2A1DRD2DRD3
Oxalic Acid SCHEMBL9277534 0.85 NMT2 (0.50) SIGMAR1DRD3
Oxalic Acid SCHEMBL9205537 0.84 SIGMAR1 (0.66) SIGMAR1
SCHEMBL9204614 0.80 SIGMAR1 (0.68) SIGMAR1
Oxalic Acid SCHEMBL9205890 0.79 SIGMAR1 (0.60) SIGMAR1
Oxalic Acid SCHEMBL9203704 0.78 SIGMAR1 (0.62) SIGMAR1
SCHEMBL9201664 0.75 SIGMAR1 (0.64) SIGMAR1
Oxalic Acid SCHEMBL9429328 0.74 KDM4E (0.52)
SCHEMBL21174962 0.74 MAOB (0.70) MAOBSLC2A1
Oxalic Acid SCHEMBL9202249 0.73 BCHE (0.60) SIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430693-B1 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS (JP) 1995-05-31 EP disclosed
US-5114941-A PYRIMIDINEDIONE DERIVATIVE COMPOUNDS, METHOD FOR PREPARING SAME, AND ANTIARRYTHMIC AGENTS CONTAINING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-19 US disclosed
EP-0430693-A2 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed