Oxalic Acid

Oxalic Acid

SCHEMBL4596486

C[C@H]1CCCN(CCCOc2ccc(-c3cc[n+]([O-])cc3)cc2)C1.O=C(O)C(=O)O.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 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.71
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HRH2 P25021 1/20 0.64
HRH1 P35367 1/20 0.64
LMNA P02545 1/20 0.63

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 SCHEMBL20509708 1.00 HRH3 (0.71) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
Oxalic Acid SCHEMBL20509707 1.00 HRH3 (0.71) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
Oxalic Acid SCHEMBL4595185 1.00 HRH3 (0.71) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
Glycolic Acid SCHEMBL21809382 0.95 HRH3 (0.67) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
Glycolic Acid SCHEMBL21809383 0.95 HRH3 (0.67) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
SCHEMBL4094659 0.95 HRH3 (0.74) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
SCHEMBL4094656 0.95 HRH3 (0.74) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
Fumaric Acid SCHEMBL20511714 0.94 HRH3 (0.66) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
Fumaric Acid SCHEMBL20511715 0.94 HRH3 (0.66) HRH3KDM4EALDH1A1SMN1; SMN2HRH2
Fumaric Acid SCHEMBL20511712 0.94 HRH3 (0.66) HRH3KDM4EALDH1A1SMN1; SMN2HRH2

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
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP claimed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP claimed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO claimed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed