Oxalic Acid

Oxalic Acid

SCHEMBL7367006

CCCC1NCC=CC1CCC(=NO)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.35

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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
SMN1; SMN2 Q16637 4/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CTBP2 P56545 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
DRD4 P21917 1/20 0.30

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 SCHEMBL7367356 0.89 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AALDH1A1GAAHTT
Oxalic Acid SCHEMBL7400346 0.68 DRD4 (0.36) DRD4
Oxalic Acid SCHEMBL7362316 0.68 SMN1; SMN2 (0.31) SMN1; SMN2KMT2AALDH1A1MAPTHTT
Oxalic Acid SCHEMBL7400341 0.68 DRD4 (0.36) DRD4
SCHEMBL5449388 0.65 ATM (0.54) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL14604957 0.65 ATM (0.54) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL5449384 0.65 ATM (0.54) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL5450434 0.63 PTGS2 (0.53) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL5450436 0.63 PTGS2 (0.53) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL27348181 0.61 KDM4E (0.57) SMN1; SMN2KMT2AMAPTMEN1GAA

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
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
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 disclosed