Oxalic Acid

Oxalic Acid

SCHEMBL28200201

BrNNc1ccc(Br)cc1.O=C(O)C(=O)O

nearest known ligand 0.48

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
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
IDO1 P14902 4/20 0.45
F13A1 P00488 1/20 0.42
LMNA P02545 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
TGM3 Q08188 1/20 0.42
S1PR3 Q99500 1/20 0.42
NPC1 O15118 2/20 0.40

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
SCHEMBL2460051 0.86 CYP2A6 (0.47) SMN1; SMN2GAAMAOAMAOBALDH1A1
Hydrochloric Acid SCHEMBL28200187 0.84 IDO1 (0.45) SMN1; SMN2GAAMAOAMAOBALDH1A1
Phosphoric Acid SCHEMBL28856291 0.83 MMP2 (0.52) SMN1; SMN2GAAMAOAMAOBALDH1A1
Sulfuric Acid SCHEMBL28200085 0.83 IDO1 (0.52) SMN1; SMN2GAAMAOAMAOBALDH1A1
Oxalic Acid SCHEMBL28200760 0.78 ACP1 (0.39) GAAMAOAMAOBALDH1A1MAPT
Oxalic Acid SCHEMBL28200725 0.78 MAPT (0.40) SMN1; SMN2GAAMAOAMAOBALDH1A1
Oxalic Acid SCHEMBL28200756 0.76 GAA (0.49) SMN1; SMN2GAAMAOAMAOBALDH1A1
Oxalic Acid SCHEMBL20984619 0.76 MAOA (0.50) SMN1; SMN2GAAMAOAMAOBMAPT
SCHEMBL9461879 0.73 GAA (0.62) SMN1; SMN2GAAMAOAMAOBALDH1A1
SCHEMBL20984621 0.73 GAA (0.62) SMN1; SMN2GAAMAOAMAOBALDH1A1

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
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed