Oxalic Acid

Oxalic Acid

SCHEMBL9795371

CC(N)C(=O)NCCCO.O=C(O)C(=O)O

nearest known ligand 0.47

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
PTGS1 P23219 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP7 Q9UHL4 2/20 0.41
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RRM1 P23921 1/20 0.38
SLC15A1 P46059 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMYD3 Q9H7B4 2/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
TERT O14746 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
SCHEMBL22987821 0.94 PTGS1 (0.52) PTGS1KCNH2DPP7KMT2AALDH1A1
SCHEMBL9497739 0.94 PTGS1 (0.52) PTGS1KCNH2DPP7KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29646318 0.92 PTGS1 (0.50) PTGS1KCNH2DPP7KMT2AALDH1A1
Oxalic Acid SCHEMBL9795322 0.88 USP2 (0.50) PTGS1KCNH2DPP7KMT2AALDH1A1
SCHEMBL13165138 0.81 PTGS1 (0.45) PTGS1KCNH2DPP7KMT2AALDH1A1
SCHEMBL15623812 0.81 ALDH1A2 (0.54) DPP7ALDH1A1RRM1SMYD3ALDH1A2
SCHEMBL4023438 0.81
SCHEMBL4023434 0.81
SCHEMBL14738671 0.81
Hydrochloric Acid SCHEMBL4019254 0.79 USP2 (0.54) PTGS1KCNH2DPP7KMT2AALDH1A1

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