Oxalic Acid

Oxalic Acid

SCHEMBL9795099

CC(O)C(=O)NCCCN.O=C(O)C(=O)O

nearest known ligand 0.49

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
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
PAOX Q6QHF9 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
RRM1 P23921 1/20 0.41
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
PTGS1 P23219 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRNB2 P17787 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
SCHEMBL9497692 0.94 KMT2A (0.53) KMT2AMEN1GNAI3GNAO1GNAI1
SCHEMBL15808518 0.81
SCHEMBL28224175 0.81
SCHEMBL823169 0.79 CYP2D6 (0.50) KMT2AGNAI3GNAO1GNAI1PAOX
SCHEMBL9414030 0.79 MEN1 (0.59) KMT2AMEN1GNAI3GNAO1GNAI1
SCHEMBL766293 0.78 PAOX (0.44) KMT2AGNAI3GNAO1GNAI1PAOX
SCHEMBL8354456 0.78 DPP7 (0.50) GNAI3GNAO1GNAI1PAOXDPP7
SCHEMBL3891776 0.77 PAOX (0.45) KMT2AMEN1GNAI3GNAO1GNAI1
SCHEMBL14169289 0.77 ALDH1A1 (0.56) KMT2AMEN1GNAI3GNAO1GNAI1
SCHEMBL8533026 0.76 KMT2A (0.67) KMT2AMEN1DPP7CYP2D6CYP2C9

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
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed