Oxalic Acid

Oxalic Acid

SCHEMBL10370396

CN(C)Cc1ccc(CS)o1.O=C(O)C(=O)O

nearest known ligand 0.50

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 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.50
BCHE P06276 10/20 0.47
PRMT6 Q96LA8 1/20 0.42
SMYD3 Q9H7B4 1/20 0.40
HRH2 P25021 1/20 0.37

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
SCHEMBL8409986 0.89 ACHE (0.61) ACHEBCHEPRMT6HRH2
Oxalic Acid SCHEMBL5111815 0.82 ACHE (0.50) ACHEBCHEPRMT6SMYD3
SCHEMBL2458150 0.78 ACHE (0.74) ACHEBCHEPRMT6
SCHEMBL2218079 0.74 TDP1 (0.60) ACHEBCHESMYD3
SCHEMBL8610492 0.72 ACHE (0.61) ACHEBCHEPRMT6
SCHEMBL1733144 0.72 ACHE (0.61) ACHEBCHEPRMT6
SCHEMBL9838312 0.71
SCHEMBL2511640 0.69 ACHE (0.52) ACHEBCHEPRMT6HRH2
SCHEMBL3927787 0.69 SMYD3 (0.54) ACHEBCHEPRMT6SMYD3
SCHEMBL8007208 0.69 ACHE (0.55) ACHEBCHEPRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150073-B1 3,4-DISUBSTITUTED-1,2,5-OXADIAZOLES HAVING HISTAMINE H2-RECEPTOR ANTAGONIST ACTIVITY Bristol-Myers Squibb Company (US) 1990-09-26 EP disclosed
EP-0150073-A1 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2-receptor antagonist activity Bristol-Myers Squibb Company (US) 1985-07-31 EP disclosed
US-4515806-A ANTIULCER, ANTISECRETORY INKE, S.A. (ES) 1985-05-07 US disclosed
US-4507485-A 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2 -receptor antagonist activity BRISTOL-MYERS COMPANY (US) 1985-03-26 US disclosed
US-4497961-A Process for the preparation of ranitidine GLAXO GROUP LIMITED (GB) 1985-02-05 US disclosed
EP-0059082-B1 PROCESS FOR THE PREPARATION OF A FURAN DERIVATIVE GLAXO GROUP LIMITED (GB) 1985-01-30 EP disclosed
US-4413135-A Intermediates in the preparation of ranitidine GLAXO GROUP LIMITED (GB) 1983-11-01 US disclosed
US-4399293-A Process for the preparation of a furan derivative GLAXO GROUP LIMITED (GB) 1983-08-16 US disclosed
EP-0059082-A1 Process for the preparation of a furan derivative GLAXO GROUP LIMITED (GB) 1982-09-01 EP disclosed