Oxalic Acid

Oxalic Acid

SCHEMBL9051874

COC(=O)C12CCN(CC1)C2.O=C(O)C(=O)O

nearest known ligand 0.89

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 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM3 P20309 2/20 0.41
NPSR1 Q6W5P4 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
USP2 O75604 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3318136 0.94 CHRM2 (0.44) CHRM1CHRM2CHRM4CHRM3NPSR1
Oxalic Acid SCHEMBL9049463 0.93 CHRM2 (0.47) CHRM1CHRM2CHRM4CHRM3NPSR1
Oxalic Acid SCHEMBL9048446 0.89 CHRM2 (0.42) CHRM1CHRM2CHRM4CHRM3NPSR1
SCHEMBL9050441 0.87 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM3NPSR1
SCHEMBL9052128 0.82 CHRM2 (0.45) CHRM1CHRM2CHRM4CHRM3NPSR1
Oxalic Acid SCHEMBL8791271 0.81 CHRM2 (0.39) CHRM1CHRM2CHRM4CHRM3NPSR1
SCHEMBL28436716 0.81 HSD11B1 (0.40) CHRM1CHRM2CHRM4CHRM3NPSR1
Oxalic Acid SCHEMBL9523436 0.75 CHRM2 (0.51) CHRM1CHRM2CHRM4CHRM3
SCHEMBL8790010 0.74 CHRM2 (0.41) CHRM1CHRM2CHRM4CHRM3NPSR1
Oxalic Acid SCHEMBL6627162 0.74 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287356-B1 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1996-01-24 EP disclosed
US-5132316-A Cognition activators BEECHAM GROUP P.L.C. (GB) 1992-07-21 US disclosed
US-4971975-A TREATMENT OF DEMENTIA; AZABICYCLOOCTANE COMPOUNDS BEECHAM GROUP PLC (GB) 1990-11-20 US disclosed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 EP disclosed