Oxalic Acid

Oxalic Acid

SCHEMBL8439350

CN1CC[C@H]1COc1ccc(Cl)nn1.O=C(O)C(=O)O

nearest known ligand 0.85

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
▸ CHRNA3 P32297 2/20 0.54
▸ CHRNB2 P17787 2/20 0.49
▸ CHRNA4 P43681 2/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ CHRNB1 P11230 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNB3 Q05901 1/20 0.49

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
SCHEMBL7409979 0.92 CHRNA3 (0.62) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
Fumaric Acid SCHEMBL8437899 0.87 CHRNB2 (0.53) CHRNA3CHRNB2CHRNA4CHRNA7CHRNB1
Fumaric Acid SCHEMBL8437905 0.87 CHRNB2 (0.53) CHRNA3CHRNB2CHRNA4CHRNA7CHRNB1
SCHEMBL8435382 0.87 CHRNB1 (0.64) CHRNA3CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL8437800 0.76 ALOX5AP (0.40) CHRNB2CHRNA4
SCHEMBL4979209 0.74 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL7911829 0.70 CHRNA3 (1.00) CHRNA3CHRNB2CHRNA4CHRNA7CHRNB1
SCHEMBL7911837 0.70 CHRNA3 (1.00) CHRNA3CHRNB2CHRNA4CHRNA7CHRNB1
SCHEMBL7407318 0.70 CHRNA3 (1.00) CHRNA3CHRNB2CHRNA4CHRNA7CHRNB1
SCHEMBL3961240 0.70 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA7

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-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 — — US disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 — — US disclosed
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