Oxalic Acid

Oxalic Acid

SCHEMBL27769830

CCC[N+](CCC)(CCC)Cc1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.45

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 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CTBP2 P56545 1/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL991989 0.90 DNM1 (0.52) DNM1MEN1KMT2ASMN1; SMN2TP53
Hydrogen Sulfide SCHEMBL5999599 0.90 DNM1 (0.52) DNM1MEN1KMT2ASMN1; SMN2TP53
Oxalic Acid SCHEMBL27769828 0.89 CES2 (0.45) DNM1CES2CES1AKR1B1MEN1
Oxalic Acid SCHEMBL27769825 0.89 DNM1 (0.50) DNM1CES2CES1AKR1B1MEN1
Acetic Acid SCHEMBL7103936 0.89 CES2 (0.45) DNM1CES2CES1AKR1B1MEN1
Hydrochloric Acid SCHEMBL239800 0.88 KDM4E (0.54) DNM1MEN1KMT2ASMN1; SMN2TP53
Iodide SCHEMBL236084 0.88 DNM1 (0.50) DNM1MEN1KMT2ASMN1; SMN2TP53
Hydrogen Sulfide SCHEMBL5999597 0.88 DNM1 (0.50) DNM1MEN1KMT2ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL28683171 0.88 DNM1 (0.50) DNM1MEN1KMT2ASMN1; SMN2TP53
Water SCHEMBL235918 0.88 DNM1 (0.50) DNM1MEN1KMT2ASMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101633673-B Method for preparing oxaliplatin Nanjing pharmaceutical factory co ltd 2012-01-11 CN disclosed
CN-101633673-A Method for preparing oxaliplatin Nanjing pharmaceutical factory 2010-01-27 CN disclosed