Oxalic Acid

Oxalic Acid

SCHEMBL10934872

CCNC(=O)N1CCN(CCCCCCCCc2ccc(F)cc2)CC1.O=C(O)C(=O)O

nearest known ligand 0.65

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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
SLC6A4 known ✓ P31645 1/20 0.56
OPRM1 known ✓ P35372 4/20 0.55
MAPK1 P28482 2/20 0.65
FAAH O00519 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2D6 P10635 2/20 0.65
TSHR P16473 1/20 0.65
ALOX12 P18054 1/20 0.65
MTOR P42345 1/20 0.65
RAB9A P51151 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
DRD4 P21917 5/20 0.56
HTR2A P28223 7/20 0.55
HTR7 P34969 5/20 0.55
DRD3 P35462 5/20 0.55
CACNA1F O60840 4/20 0.55

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
Hydrochloric Acid SCHEMBL10936666 0.95 MEN1 (0.67) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL10935509 0.94 MEN1 (0.68) MAPK1FAAHCYP3A4CYP2D6TSHR
SCHEMBL10937634 0.85 HRH3 (0.54) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL10415232 0.84 FAAH (0.63) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL11016070 0.84 MAPK1 (0.67) MAPK1FAAHCYP3A4CYP2D6TSHR
SCHEMBL10933082 0.83 HRH3 (0.55) MAPK1FAAHCYP3A4CYP2D6TSHR
SCHEMBL10509762 0.83 FAAH (0.52) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL11019890 0.83 MAPK1 (0.68) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL10507827 0.82 DRD4 (0.53) MAPK1FAAHCYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL10506832 0.82 TP53 (0.62) FAAHCYP3A4CYP2D6TSHRMEN1

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
WO-1985000811-A1 NOVEL 1-PIPERAZINECARBOXAMIDE DERIVATIVES AB FERROSAN (SE) 1985-02-28 WO disclosed