Oxalic Acid

Oxalic Acid

SCHEMBL29038902

CC1CCC1.O=C(O)C(=O)O

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 5/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 2/20 0.36
RECQL P46063 2/20 0.36
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33

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
Bicarbonate SCHEMBL10617200 0.90
SCHEMBL10617160 0.84
Carbamic Acid SCHEMBL27856553 0.84
Methacrylic Acid SCHEMBL3287493 0.83 TDP1 (0.41) CYP1A2ALDH1A1LMNAPOLBMEN1
Acetone SCHEMBL594272 0.83
Carbamic Acid SCHEMBL28864494 0.81 EPHX1 (0.42) CYP1A2ALDH1A1LMNAEPHX1RECQL
Methylcyclopentane SCHEMBL8746944 0.80 EPHX1 (0.46) CYP1A2ALDH1A1LMNAMEN1KMT2A
Bicarbonate SCHEMBL4695324 0.78 EPHX1 (0.50) CYP1A2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL2368 0.78
Bicarbonate SCHEMBL8913592 0.78 EPHX1 (0.50) CYP1A2ALDH1A1KDM4EMAPTKMT2A

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-112225757-B Preparation method of lobaplatin trihydrate 昆明贵研药业有限公司 2023-07-21 CN disclosed