Oxalic Acid

Oxalic Acid

SCHEMBL27769828

CCC[N+](CCC)(CCC)Cc1ccccc1.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 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
DNM1 Q05193 2/20 0.42
POLB P06746 2/20 0.42
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R10 Q9NYW0 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B1 P15121 1/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
Acetic Acid SCHEMBL7103936 0.93 CES2 (0.45) CES2CES1DNM1POLBALPL
Oxalic Acid SCHEMBL27769823 0.90 DNM1 (0.47) CES2CES1DNM1POLBALPL
Oxalic Acid SCHEMBL27769830 0.89 DNM1 (0.44) CES2CES1DNM1POLBMEN1
SCHEMBL991989 0.87 DNM1 (0.52) DNM1MEN1KMT2ATP53MAPK1
Hydrogen Sulfide SCHEMBL5999599 0.87 DNM1 (0.52) DNM1MEN1KMT2ATP53MAPK1
Oxalic Acid SCHEMBL1050278 0.85 LMNA (0.49) CES2CES1POLBALPLALPG
Hydrogen Sulfide SCHEMBL5999597 0.85 DNM1 (0.50) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL239800 0.85 KDM4E (0.54) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL28683171 0.85 DNM1 (0.50) DNM1MEN1KMT2ATP53MAPK1
Iodide SCHEMBL236084 0.85 DNM1 (0.50) DNM1MEN1KMT2ATP53MAPK1

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