Oxalic Acid

Oxalic Acid

SCHEMBL10695599

NC(=O)OC1CCCN(CCOc2cccc(C(F)(F)F)c2)C1.O=C(O)C(=O)O

nearest known ligand 0.59

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 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 1/20 0.59
HRH3 Q9Y5N1 5/20 0.53
LTA4H P09960 1/20 0.52
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.47
DRD2 P14416 1/20 0.45

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
SCHEMBL10697150 0.98 KDM4E (0.56) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL10690170 0.93 KMT2A (0.50) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL10692724 0.92 HRH3 (0.49) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL10692369 0.86 KMT2A (0.53) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL10695808 0.78 KDM4E (0.48) KDM4EALDH1A1KMT2AGAALMNA
Oxalic Acid SCHEMBL10692238 0.78 KDM4E (0.55) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL10696993 0.76 KDM4E (0.54) KDM4EALDH1A1GAALMNAHRH3
SCHEMBL11244902 0.75 LTA4H (0.81) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL14970473 0.75 LTA4H (0.81) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL10695529 0.74 HRH3 (0.55) KDM4EALDH1A1LMNAHRH3

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
EP-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed