Oxalic Acid

Oxalic Acid

SCHEMBL9795231

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

nearest known ligand 0.40

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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
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 1/20 0.32
CFTR P13569 1/20 0.31
ACR P10323 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9497738 0.94 ANPEP (0.34) CYP2D6CYP2C19ANPEPDNPEPALDH1A1
SCHEMBL7946066 0.79 CYP2D6 (0.50) CYP2D6CYP2C19ANPEPDNPEPALDH1A1
SCHEMBL10018013 0.77 CYP2D6 (0.36) CYP2D6CYP2C19ANPEPDNPEPALDH1A1
SCHEMBL26199046 0.77 CYP2D6 (0.36) CYP2D6CYP2C19ANPEPDNPEPALDH1A1
SCHEMBL26198366 0.77 CYP2D6 (0.36) CYP2D6CYP2C19ANPEPDNPEPALDH1A1
SCHEMBL11521154 0.75 CYP2D6 (0.34) CYP2D6CYP2C19ANPEPDNPEPALDH1A1
SCHEMBL2745754 0.74 CA2 (0.35) CYP2C19ALDH1A1KDM4E
Oxalic Acid SCHEMBL9795360 0.72 CNR1 (0.36) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8225897 0.72 SYK (0.32) ANPEPDNPEP
SCHEMBL8225884 0.72 SYK (0.32) ANPEPDNPEP

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