Oxalic Acid

Oxalic Acid

SCHEMBL9795140

CC(C)(N)C(=O)NCC[C@@H]1CCCC[C@H]1O.O=C(O)C(=O)O

nearest known ligand 0.41

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 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGS1 P23219 7/20 0.30
PTGS2 P35354 6/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MT-CO1 P00395 1/20 0.30
MT-CO2 P00403 1/20 0.30

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 SCHEMBL9795133 1.00 CA1 (0.41) CA1CA2CA4TSHREPHX1
SCHEMBL9498434 0.96 CA1 (0.44) CA1CA2CA4TSHREPHX1
Oxalic Acid SCHEMBL9795235 0.85 CA1 (0.36) CA1CA2CA4TSHRSMN1; SMN2
Oxalic Acid SCHEMBL9795230 0.85 CA1 (0.36) CA1CA2CA4TSHRSMN1; SMN2
SCHEMBL9497838 0.80 CA1 (0.39) CA1CA2CA4TSHRSMN1; SMN2
SCHEMBL9795378 0.80 CA1 (0.39) CA1CA2CA4TSHRSMN1; SMN2
SCHEMBL9795142 0.76 EPHX1 (0.31) EPHX1SMN1; SMN2HSD17B10
SCHEMBL19909847 0.74 ALDH1A1 (0.46) CA1CA2CA4TSHREPHX1
SCHEMBL9795512 0.72 CA1 (0.44) CA1CA2CA4TSHREPHX1
SCHEMBL9795514 0.72 CA1 (0.44) CA1CA2CA4TSHREPHX1

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