Oxalic Acid

Oxalic Acid

SCHEMBL6090643

NC(=O)c1ccco1.NC(=O)c1ccco1.O=C(O)C(=O)O

nearest known ligand 0.63

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
PTPN1 P18031 1/20 0.63
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS1 P23219 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 4/20 0.48
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL60741 0.93
SCHEMBL27288630 0.91
SCHEMBL29126781 0.91
Hydrochloric Acid SCHEMBL4706810 0.91
Hydrogen Sulfide SCHEMBL28650892 0.91
Hydrochloric Acid SCHEMBL31367891 0.91 CES2 (0.62) PTPN1CES2CES1ERCC5FEN1
Acetic Acid SCHEMBL6883898 0.89 PTGS1 (0.57) PTPN1CES2CES1ERCC5FEN1
SCHEMBL27776787 0.89 CES2 (0.60) PTPN1CES2CES1ERCC5FEN1
Formic Acid SCHEMBL28853289 0.85 CES2 (0.56) PTPN1CES2CES1ERCC5FEN1
Sulfuric Acid SCHEMBL26108102 0.85 CES2 (0.56) PTPN1CES2CES1ERCC5FEN1

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
WO-2006135694-A2 UII-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-12-21 WO claimed