Oxalic Acid

Oxalic Acid

SCHEMBL21808124

CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO.O=C(O)C(=O)O

nearest known ligand 0.73

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 6/20 0.44
OPRM1 known ✓ P35372 2/20 0.36
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BCL2 P10415 8/20 0.39
SLC6A2 P23975 2/20 0.36
HTR2C P28335 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
SLC22A1 O15245 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM1 P11229 1/20 0.36

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
Acetic Acid SCHEMBL27702816 0.96 SLC6A4 (0.42) SLC6A4MAPK1LMNAKDM4ESMN1; SMN2
Acetic Acid SCHEMBL27702815 0.96 SLC6A4 (0.42) SLC6A4MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL1362860 0.95 SLC6A4 (0.40) SLC6A4MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL29414619 0.95 BCL2 (0.42) SLC6A4MAPK1LMNASMN1; SMN2BCL2
SCHEMBL679 0.95 BCL2 (0.42) SLC6A4MAPK1LMNASMN1; SMN2BCL2
SCHEMBL907577 0.95 BCL2 (0.42) SLC6A4MAPK1LMNASMN1; SMN2BCL2
SCHEMBL29414628 0.95 BCL2 (0.42) SLC6A4MAPK1LMNASMN1; SMN2BCL2
SCHEMBL907571 0.95 BCL2 (0.42) SLC6A4MAPK1LMNASMN1; SMN2BCL2
Pivalate SCHEMBL27604130 0.94 SLC6A4 (0.40) SLC6A4MAPK1LMNAKDM4ESMN1; SMN2
Pivalate SCHEMBL6237077 0.94 SLC6A4 (0.40) SLC6A4MAPK1LMNAKDM4ESMN1; SMN2

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
WO-2020060011-A1 NOVEL PREPARATION METHOD FOR CITALOPRAM AND ESCITALOPRAM USING CARBONATES (주)유케이케미팜 2020-03-26 WO disclosed