Oxalic Acid

Oxalic Acid

SCHEMBL7396176

CCCN1CCC=C(CCC(=NO)c2ccc(OC)cc2)C1.O=C(O)C(=O)O

nearest known ligand 0.43

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 0.38
KDM2B Q8NHM5 2/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 3/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38

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
Oxalic Acid SCHEMBL7396173 1.00 KDM2B (0.43) KDM2BKMT2AMEN1MAPTALDH1A1
Oxalic Acid SCHEMBL467153 0.88 DRD4 (0.40) KMT2AALDH1A1LMNAKDM4EALOX12
Oxalic Acid SCHEMBL467154 0.88 DRD4 (0.40) KMT2AALDH1A1LMNAKDM4EALOX12
Oxalic Acid SCHEMBL7401973 0.72 KDM2B (0.44) KDM2BKMT2AMEN1MAPTALDH1A1
Oxalic Acid SCHEMBL7401971 0.72 KDM2B (0.44) KDM2BKMT2AMEN1MAPTALDH1A1
Oxalic Acid SCHEMBL7364061 0.70 KDM4E (0.37) KDM2BALDH1A1KDM4ESMN1; SMN2
SCHEMBL13268902 0.69 SMN1; SMN2 (0.64) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28121003 0.68 SMN1; SMN2 (0.58) ALDH1A1HTTKDM4ESMN1; SMN2HPGD
SCHEMBL8215476 0.67 KMT2A (0.39) KMT2AMEN1ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL466882 0.66 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAKDM4E

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-5208343-A Antidepressants, antiinflammatory WARNER-LAMBERT COMPANY (US) 1993-05-04 US claimed
WO-1993019047-A1 TETRAHIDROPYRIDINYL (3/4) SUBSTITUED OXIMES HAVING SIGMA RECEPTOR AFFINITY AND THEIR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM CONDITIONS WARNER-LAMBERT COMPANY (US) 1993-09-30 WO disclosed
US-5208343-A Antidepressants, antiinflammatory WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed