Oxalic Acid

Oxalic Acid

SCHEMBL9599573

CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1.O=C(O)C(=O)O

nearest known ligand 0.59

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 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
BCHE P06276 5/20 0.41
ACHE P22303 4/20 0.41
ALDH1A1 P00352 2/20 0.39
FDPS P14324 1/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 1/20 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
Oxalic Acid SCHEMBL9598319 0.96 HRH3 (0.47) HRH3BCHEACHEFDPS
SCHEMBL8234726 0.95 HRH3 (0.46) HRH3BCHEACHEALDH1A1FDPS
SCHEMBL8229020 0.92 HRH3 (0.51) HRH3
Hydrochloric Acid SCHEMBL9656222 0.90 HRH3 (0.49) HRH3
SCHEMBL8237539 0.90 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2
SCHEMBL8234535 0.90 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2
SCHEMBL9656112 0.89 HRH3 (0.48) HRH3BCHEACHEALDH1A1SMN1; SMN2
SCHEMBL9598570 0.89 HRH3 (0.42) HRH3BCHEACHEALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL9599488 0.86 HRH3 (0.45) HRH3BCHEACHE
Oxalic Acid SCHEMBL10337873 0.85 HRH3 (0.50) HRH3BCHEACHEFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182291-A Angina pectoris, hypotensive, antiarrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-01-26 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US disclosed