Oxalic Acid

Oxalic Acid

SCHEMBL7364061

CCCC1NCCC=C1CCC(=NO)c1ccc(OC)cc1.O=C(O)C(=O)O

nearest known ligand 0.37

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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 18)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 2/20 0.34
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.34
OPRK1 P41145 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTBP2 P56545 1/20 0.33
GRIK2 Q13002 1/20 0.33
OPRD1 P41143 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
PKM P14618 2/20 0.32
PDE4B Q07343 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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 SCHEMBL7362316 0.89 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL7367356 0.71 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL7396176 0.70 KDM2B (0.43) KDM4ESMN1; SMN2ALDH1A1KDM2B
Oxalic Acid SCHEMBL7396173 0.70 KDM2B (0.43) KDM4ESMN1; SMN2ALDH1A1KDM2B
SCHEMBL13268902 0.67 SMN1; SMN2 (0.64) KDM4ESMN1; SMN2ALDH1A1PKMCA1
SCHEMBL28121003 0.67 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL7401973 0.65 KDM2B (0.44) KDM4ESMN1; SMN2ALDH1A1KDM2B
Oxalic Acid SCHEMBL7401971 0.65 KDM2B (0.44) KDM4ESMN1; SMN2ALDH1A1KDM2B
SCHEMBL7865663 0.63 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7865659 0.63 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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-1993019047-A1 TETRAHIDROPYRIDINYL (3/4) SUBSTITUED OXIMES HAVING SIGMA RECEPTOR AFFINITY AND THEIR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM CONDITIONS WARNER-LAMBERT COMPANY (US) 1993-09-30 WO claimed