Oxalic Acid

Oxalic Acid

SCHEMBL10506155

CCCCC(CCCN1CCN(C(=O)NCC)CC1)c1ccc(F)cc1.O=C(O)C(=O)O

nearest known ligand 0.77

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
OPRM1 known ✓ P35372 5/20 0.54
SLC6A4 known ✓ P31645 1/20 0.44
MAPK1 P28482 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2D6 P10635 2/20 0.77
FAAH O00519 1/20 0.77
TSHR P16473 1/20 0.77
ALOX12 P18054 1/20 0.77
MTOR P42345 1/20 0.77
RAB9A P51151 1/20 0.77
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
BLM P54132 1/20 0.75
PMP22 Q01453 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
HRH1 P35367 7/20 0.54
HRH2 P25021 6/20 0.54
HTR2A P28223 6/20 0.54
ADRA1A P35348 6/20 0.54
DRD3 P35462 6/20 0.54

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
Amperozide SCHEMBL340961 0.87 CYP3A4 (1.00) MAPK1CYP3A4CYP2D6FAAHTSHR
Amperozide SCHEMBL1321270 0.86 MEN1 (1.00) MAPK1CYP3A4CYP2D6FAAHTSHR
Amperozide SCHEMBL17360644 0.85 CYP3A4 (0.95) MAPK1CYP3A4CYP2D6FAAHTSHR
Hydrochloric Acid SCHEMBL10510286 0.84 MEN1 (0.83) MAPK1CYP3A4CYP2D6FAAHTSHR
Hydrochloric Acid SCHEMBL10510024 0.83 KMT2A (0.81) MAPK1CYP3A4CYP2D6FAAHTSHR
Hydrochloric Acid SCHEMBL10507007 0.81 MEN1 (0.78) MAPK1CYP3A4CYP2D6FAAHTSHR
SCHEMBL10506450 0.80 MAPK1 (0.74) MAPK1CYP3A4CYP2D6FAAHTSHR
SCHEMBL10509222 0.78 MAPK1 (0.72) MAPK1CYP3A4CYP2D6FAAHTSHR
Oxalic Acid SCHEMBL10934872 0.78 MAPK1 (0.65) MAPK1CYP3A4CYP2D6FAAHTSHR
SCHEMBL10556167 0.78 CYP3A4 (0.83) MAPK1CYP3A4CYP2D6FAAHTSHR

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
EP-0136274-B1 1-PIPERAZINE CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS AB Ferrosan (SE) 1989-11-08 EP disclosed
EP-0136274-A1 1-Piperazine carboxamide derivatives, their preparation and their use in pharmaceutical compositions AB Ferrosan (SE) 1985-04-03 EP disclosed