Oxalic Acid

Oxalic Acid

SCHEMBL466854

CC(=O)N1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1.O=C(O)C(=O)O

nearest known ligand 0.71

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 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.71
KCNH2 Q12809 4/20 0.71

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
SCHEMBL8234157 0.97 SIGMAR1 (0.75) SIGMAR1KCNH2
Oxalic Acid SCHEMBL4515225 0.87 SIGMAR1 (0.94) SIGMAR1KCNH2
Oxalic Acid SCHEMBL4521956 0.84 SIGMAR1 (0.79) SIGMAR1KCNH2
SCHEMBL4500443 0.83 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL467006 0.82 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL1980480 0.81 SIGMAR1 (0.64) SIGMAR1KCNH2
SCHEMBL12064674 0.81 SIGMAR1 (0.75) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1899101 0.81 SIGMAR1 (0.98) SIGMAR1KCNH2
SCHEMBL467105 0.81 SIGMAR1 (1.00) SIGMAR1KCNH2
SCHEMBL467173 0.81 SIGMAR1 (0.83) SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
EP-2646025-B1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN ESTEVE LABOR DR (ES) 2017-03-15 EP disclosed
EP-2531191-B1 Sigma ligands for use in the prevention and/or treatment of postoperative pain ESTEVE LABOR DR (ES) 2016-03-30 EP disclosed
EP-2571501-B1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
EP-2460519-A1 Use of sigma ligands in bone cancer pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-06-06 EP disclosed
EP-2415471-A1 Use of sigma ligands in opioid-induced hyperalgesia Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-02-08 EP disclosed
EP-2388005-A1 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-11-23 EP disclosed
EP-2353598-A1 Sigma ligands for use in the prevention and/or treatment of postoperative pain Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-08-10 EP disclosed