Oxalic Acid

Oxalic Acid

SCHEMBL7401971

CCCN1CC=CC(CC/C(=N/O)c2ccc(OC)cc2)C1.O=C(O)C(=O)O

nearest known ligand 0.44

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
KDM2B Q8NHM5 5/20 0.44
KMT2A Q03164 8/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
DRD2 P14416 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 SCHEMBL7401973 1.00 KDM2B (0.44) KDM2BKMT2AALDH1A1GAAMEN1
Oxalic Acid SCHEMBL7402348 0.91 KDM4E (0.39) KDM2BKMT2AALDH1A1KDM4EMAPT
Oxalic Acid SCHEMBL7402350 0.91 KDM4E (0.39) KDM2BKMT2AALDH1A1KDM4EMAPT
Oxalic Acid SCHEMBL7400341 0.89 DRD4 (0.36) KDM2BDRD2
Oxalic Acid SCHEMBL7400346 0.89 DRD4 (0.36) KDM2BDRD2
SCHEMBL9476248 0.77 KDM2B (0.41) KDM2BKMT2AALDH1A1GAAMEN1
Oxalic Acid SCHEMBL7396176 0.72 KDM2B (0.43) KDM2BKMT2AALDH1A1GAAMEN1
Oxalic Acid SCHEMBL7396173 0.72 KDM2B (0.43) KDM2BKMT2AALDH1A1GAAMEN1
Oxalic Acid SCHEMBL7367356 0.71 SMN1; SMN2 (0.38) KDM2BKMT2AALDH1A1GAAKDM4E
SCHEMBL13268902 0.67 SMN1; SMN2 (0.64) KMT2AALDH1A1GAAMEN1KDM4E

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