Oxalic Acid

Oxalic Acid

SCHEMBL8201190

COc1cccc(C#CCON)c1.O=C(O)C(=O)O

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
CHRM2 P08172 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 3/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ALOX5 P09917 1/20 0.45
HAO1 Q9UJM8 2/20 0.44
PTGES O14684 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
EGLN1 Q9GZT9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
GRM5 P41594 2/20 0.42

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
SCHEMBL7703789 0.91 CHRM2 (0.54) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL27393702 0.76 CHRM2 (0.46) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL2155272 0.76 CHRM2 (0.56) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL19291472 0.76 CHRM2 (0.56) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL29745229 0.76 CHRM2 (0.56) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL7884371 0.74 FFAR1 (0.57) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL23843579 0.74 CHRM2 (0.57) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL23350659 0.73 CHRM2 (0.54) FFAR1CHRM2CHRM1CHRM3CA12
SCHEMBL8707382 0.73 CHRM2 (0.48) FFAR1CHRM2CHRM1CHRM3CA12
1,3-Dimethoxybenzene SCHEMBL28200783 0.73 LMNA (0.61) MEN1KMT2ALMNAKDM4EALDH1A1

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
US-6121459-A Single pot process for producing (Z)-azabicyclo oxime ethers WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed
EP-1021446-A1 SINGLE POT PROCESS FOR PRODUCING (Z)-AZABICYCLO OXIME ETHERS WARNER-LAMBERT COMPANY (US) 2000-07-26 EP disclosed
WO-1998032758-A1 SINGLE POT PROCESS FOR PRODUCING (Z)-AZABICYCLO OXIME ETHERS WARNER-LAMBERT COMPANY (US) 1998-07-30 WO disclosed