Oxalic Acid

Oxalic Acid

SCHEMBL9795145

CC(C)(CN)CNC(=O)C(C)(C)CO.O=C(O)C(=O)O

nearest known ligand 0.38

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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.31
RIPK1 Q13546 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9499958 0.94 KDM4E (0.38) KDM4ECYP2D6SMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL9795476 0.81 RIPK1 (0.32) RIPK1
Oxalic Acid SCHEMBL9795402 0.81 KDM4E (0.41) KDM4ECYP2D6SMN1; SMN2HSD17B10
SCHEMBL6674518 0.81 SMN1; SMN2 (0.35) RIPK1SMN1; SMN2HSD17B10
SCHEMBL19422817 0.79 KDM4E (0.33) KDM4ESMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL9795213 0.78 CNR1 (0.32) RIPK1HSD17B10
SCHEMBL27837325 0.77 KDM4E (0.41) KDM4ECYP2D6SMN1; SMN2HSD17B10
SCHEMBL9497704 0.75 CFTR (0.31) RIPK1
SCHEMBL21172271 0.75 KDM4E (0.45) KDM4ECYP2D6SMN1; SMN2HSD17B10
SCHEMBL9501573 0.75 KDM4E (0.40) KDM4ECYP2D6SMN1; SMN2HSD17B10

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