Oxalic Acid

Oxalic Acid

SCHEMBL9752509

CN1CCC[C@H]1C#CCN1CCCC1=O.O=C(O)C(=O)O

nearest known ligand 0.59

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
BLM P54132 1/20 0.47
CHRM2 P08172 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
APEX1 P27695 2/20 0.46
PMP22 Q01453 2/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM4 P08173 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.43

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
Oxalic Acid SCHEMBL9752451 1.00 BLM (0.47) BLMCHRM2CHRM5CHRM1CHRM3
SCHEMBL9752524 0.95 CHRM2 (0.50) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9752361 0.95 CHRM2 (0.50) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9752294 0.91 CHRM2 (0.53) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9752331 0.91 CHRM2 (0.53) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9752308 0.77 CHRM2 (0.47) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL9752337 0.77 CHRM2 (0.47) CHRM2CHRM5CHRM1CHRM3CHRM4
Oxalic Acid SCHEMBL9752396 0.77 BLM (0.41) BLMCHRM2CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9752673 0.75 BLM (0.46) BLMCHRM2CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9752330 0.75 BLM (0.46) BLMCHRM2CHRM5CHRM1CHRM3

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-1991000724-A1 ALKYNYL AMINES THAT REGULATE CHOLINERGIC NEUROTRANSMISSION ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed