Oxalic Acid

Oxalic Acid

SCHEMBL30366556

CCC(=O)NCc1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.61

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 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
EPHX2 P34913 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
MCL1 Q07820 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
RIPK1 Q13546 1/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL9080 0.96 GAA (0.66) GAAEPHX2CYP3A4CYP2C19L3MBTL1
Propionamide SCHEMBL1194940 0.89 GAA (0.58) GAAEPHX2CYP3A4CYP2C19L3MBTL1
Toluene SCHEMBL10972899 0.89 SMN1; SMN2 (0.64) GAAEPHX2CYP3A4CYP2C19L3MBTL1
Oxalic Acid SCHEMBL27880875 0.85 CYP3A4 (0.81) GAAEPHX2CYP3A4CYP2C19L3MBTL1
SCHEMBL13652538 0.85 LMNA (0.70) GAAEPHX2CYP3A4CYP2C19L3MBTL1
SCHEMBL15672957 0.84 EPHX2 (0.56) GAAEPHX2CYP3A4CYP2C19L3MBTL1
SCHEMBL13652537 0.82 ALDH1A1 (0.61) GAAEPHX2CYP3A4CYP2C19L3MBTL1
SCHEMBL27343037 0.82 MAPT (0.65) GAAEPHX2CYP3A4CYP2C19L3MBTL1
SCHEMBL16425162 0.81 MTNR1A (0.49) GAAEPHX2CYP3A4CYP2C19L3MBTL1
SCHEMBL3087061 0.81 GAA (0.73) GAAL3MBTL1KMT2AMEN1MCL1

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-115996909-A Process for preparing remifentanil hydrochloride 麦克法伦史密斯有限公司 2023-04-21 CN disclosed