Oxalic Acid

Oxalic Acid

SCHEMBL11243792

CCCCCCCN(CCCCCCC)CCCCc1ccc([N+](=O)[O-])cc1.CCCCCCCN(CCCCCCC)CCCCc1ccc([N+](=O)[O-])cc1.O=C(O)C(=O)O

nearest known ligand 0.78

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
KCNH2 Q12809 4/20 0.78
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
HAO1 Q9UJM8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RARB P10826 3/20 0.46

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 SCHEMBL11238448 1.00 KCNH2 (0.78) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11229380 0.99 KCNH2 (0.76) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11243846 0.99 KCNH2 (0.76) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11229373 0.99 KCNH2 (0.76) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11243849 0.99 KCNH2 (0.76) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11234803 0.99 KCNH2 (0.76) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11229293 0.97 KCNH2 (0.74) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11229297 0.97 KCNH2 (0.74) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11238473 0.97 KCNH2 (0.74) KCNH2THRATHRBHAO1ALDH1A1
Oxalic Acid SCHEMBL11238467 0.97 KCNH2 (0.74) KCNH2THRATHRBHAO1ALDH1A1

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-4336269-A ANTIARRHYTHMIA ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed
US-4277501-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed