Oxalic Acid

Oxalic Acid

SCHEMBL7214943

CN1C2C=C(c3ccc4ccccc4c3)CC1CCC2.O=C(O)C(=O)O

nearest known ligand 0.60

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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
SLC6A4 known ✓ P31645 6/20 0.54
SLC6A3 Q01959 6/20 0.54
SLC6A2 P23975 3/20 0.54
HTR1A P08908 2/20 0.42
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL7210045 0.93 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2HTR1A
SCHEMBL1021477 0.85 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2HTR1A
SCHEMBL1021480 0.85 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2HTR1A
Trifluoroacetic Acid SCHEMBL8108321 0.84 SLC6A4 (0.58) SLC6A3SLC6A4SLC6A2HTR1A
SCHEMBL7209977 0.75 SLC6A2 (0.49) SLC6A3SLC6A4SLC6A2
SCHEMBL5829872 0.75 SLC6A2 (0.58) SLC6A3SLC6A4SLC6A2HTR1A
SCHEMBL5829493 0.74 SLC6A4 (0.51) SLC6A3SLC6A4SLC6A2HTR1A
SCHEMBL5829491 0.74 SLC6A4 (0.51) SLC6A3SLC6A4SLC6A2HTR1A
SCHEMBL7720436 0.74 SLC6A2 (0.53) SLC6A3SLC6A4SLC6A2
SCHEMBL13850008 0.73 SLC6A2 (0.49) SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984966-B1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH AS (DK) 2003-01-29 EP disclosed
EP-0984966-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054182-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO disclosed