Oxalic Acid

Oxalic Acid

SCHEMBL7994348

Cc1cc(/C=C2/CCCN(C)C2)on1.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 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.44
CHRNA3 P32297 6/20 0.44
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HCAR2 Q8TDS4 1/20 0.35

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 SCHEMBL7994351 1.00 CHRNB2 (0.44) CHRNB2CHRNA3CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL7414834 0.92 CHRNB2 (0.44) CHRNB2CHRNA3CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL7423054 0.92 CHRNB2 (0.44) CHRNB2CHRNA3CHRM2CHRM4CHRM5
SCHEMBL7472477 0.92 CHRNB2 (0.48) CHRNB2CHRNA3
SCHEMBL7472472 0.92 CHRNB2 (0.48) CHRNB2CHRNA3
Oxalic Acid SCHEMBL8009465 0.84 CHRNB2 (0.43) CHRNB2CHRNA3CHRM2CHRM4CHRM5
SCHEMBL7423822 0.84 CHRNB2 (0.50) CHRNB2CHRNA3CHRM3
SCHEMBL7423827 0.84 CHRNB2 (0.50) CHRNB2CHRNA3CHRM3
SCHEMBL7994340 0.75 CHRNB2 (0.49) CHRNB2CHRNA3
Oxalic Acid SCHEMBL8842149 0.70 CHRNB2 (0.85) CHRNB2CHRNA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022868-A TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM RELATED TO MALFUNCTIONING OF THE NICOTINIC CHOLINERGIC SYSTEM. NOVO NORDISK ALS (DK) 2000-02-08 US disclosed