Oxalic Acid

Oxalic Acid

SCHEMBL9486116

CCCCc1c(C(=O)c2ccc(OCCCN(CCCC)CCCC)cc2)n(C)c2ccc(N)cc12.O=C(O)C(=O)O

nearest known ligand 0.48

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
SLC6A4 known ✓ P31645 1/20 0.42
OPRM1 known ✓ P35372 1/20 0.42
PLA2G4A P47712 1/20 0.47
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 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
SCHEMBL9047439 0.84 OXER1 (0.48) CHRM2HTR1ADRD3SLC6A3KCNH2
SCHEMBL9487366 0.80 PLA2G4A (0.47) PLA2G4ACHRM2HTR1ADRD3SLC6A3
Fumaric Acid SCHEMBL9485587 0.80 ESR1 (0.59) CHRM2HTR1ADRD3SLC6A3KCNH2
Fumaric Acid SCHEMBL9485596 0.80 ESR1 (0.59) CHRM2HTR1ADRD3SLC6A3KCNH2
Oxalic Acid SCHEMBL9486144 0.80 CHRM2 (0.43) CHRM2HTR1ADRD3SLC6A3KCNH2
Hydrochloric Acid SCHEMBL9486579 0.79 BCHE (0.46)
Hydrochloric Acid SCHEMBL9486674 0.74 CNR2 (0.50) CHRM2HTR1ADRD3SLC6A3KCNH2
SCHEMBL9486172 0.73 CHRM2 (0.47) CHRM2HTR1ADRD3SLC6A3KCNH2
SCHEMBL31505225 0.73 ESR1 (0.72) CHRM2HTR1ADRD3SLC6A3KCNH2
SCHEMBL282404 0.73 ESR1 (0.72) CHRM2HTR1ADRD3SLC6A3KCNH2

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-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed