Oxalic Acid

Oxalic Acid

SCHEMBL9530845

Fc1ccc(OCC2CCCN(CC=Cc3ccccc3)C2)cc1.O=C(O)C(=O)O

nearest known ligand 0.53

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 0.46
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
CCR3 P51677 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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 SCHEMBL9530842 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1KDM4EHCRTR1HCRTR2
Oxalic Acid SCHEMBL9527661 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4EHRH3LMNA
Oxalic Acid SCHEMBL9527667 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4EHRH3LMNA
Oxalic Acid SCHEMBL7327867 0.80 SLC6A4 (0.65) KDM4ECCR3HRH3LMNAGAA
Oxalic Acid SCHEMBL7327873 0.80 SLC6A4 (0.65) KDM4ECCR3HRH3LMNAGAA
SCHEMBL9528399 0.80 MAOA (0.44) ALDH1A1KDM4EHRH3LMNASMN1; SMN2
SCHEMBL9528392 0.80 MAOA (0.44) ALDH1A1KDM4EHRH3LMNASMN1; SMN2
SCHEMBL9528085 0.76 ALDH1A1 (0.57) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL9528092 0.76 ALDH1A1 (0.57) ALDH1A1LMNAGAASMN1; SMN2MEN1
Oxalic Acid SCHEMBL9528825 0.76 KDM4E (0.53) ALDH1A1KDM4EHCRTR1HCRTR2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP disclosed
WO-1992002501-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO disclosed