Oxalic Acid

Oxalic Acid

SCHEMBL8173418

Cc1ccc2c(c1)CC(OCCN1CCC(C(=O)O)CC1)c1ccccc1S2.O=C(O)C(=O)O

nearest known ligand 0.56

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 0.36
LMNA P02545 3/20 0.56
ALDH1A1 P00352 4/20 0.53
DRD2 P14416 4/20 0.44
HRH1 P35367 3/20 0.44
SLC6A1 P30531 1/20 0.40
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.36
DRD3 P35462 2/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 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
SCHEMBL7604312 0.98 LMNA (0.58) LMNAALDH1A1DRD2HRH1SLC6A1
Oxalic Acid SCHEMBL8173667 0.91 SLC6A1 (0.52) LMNAALDH1A1SLC6A1
SCHEMBL8173413 0.90 LMNA (0.53) LMNAALDH1A1DRD2HRH1SLC6A1
SCHEMBL7604917 0.90 SLC6A1 (0.53) LMNAALDH1A1SLC6A1
Oxalic Acid SCHEMBL8173826 0.89 LMNA (0.70) LMNAALDH1A1DRD2HRH1SLC6A1
SCHEMBL8172078 0.89 LMNA (0.53) LMNAALDH1A1LTA4HKDM4EMAPT
SCHEMBL7607300 0.87 LMNA (0.72) LMNAALDH1A1DRD2HRH1LTA4H
SCHEMBL8173666 0.82 LMNA (0.49) LMNAALDH1A1SLC6A1KDM4E
SCHEMBL8161721 0.82 LMNA (0.49) LMNAALDH1A1KDM4EMEN1MAPT
Oxalic Acid SCHEMBL8161910 0.80 LMNA (0.65) LMNAALDH1A1SLC6A1

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-6060468-A ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-05-09 US disclosed
EP-0934314-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015550-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed