Oxalic Acid

Oxalic Acid

SCHEMBL10345685

CCOc1ccccc1OCc1ccccc1CC1(OCC)CCNC1.O=C(O)C(=O)O

nearest known ligand 0.39

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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
OPRM1 known ✓ P35372 1/20 0.38
SLC6A4 known ✓ P31645 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
SLC6A2 P23975 5/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CACNA1F O60840 2/20 0.36
CACNA1D Q01668 2/20 0.36
KCNH2 Q12809 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10345275 0.76 SLC6A2 (0.40) L3MBTL1GLAKDM4ESLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10345210 0.75 SLC6A2 (0.39) L3MBTL1GLAKDM4ESLC6A2SLC6A4
Fumaric Acid SCHEMBL10345700 0.70 GLA (0.41) L3MBTL1GLAKDM4EOPRM1MRGPRX4
SCHEMBL10345284 0.69 PIM1 (0.41) L3MBTL1GLAKDM4ESLC6A2SLC6A4
SCHEMBL13794516 0.67 L3MBTL1 (0.67) L3MBTL1GLAKDM4EMRGPRX4CYP2D6
SCHEMBL10345233 0.65 SLC6A2 (0.41) L3MBTL1GLAOPRM1SLC6A2SLC6A4
SCHEMBL27935397 0.65 HTR1A (0.39) L3MBTL1KDM4ESLC6A2SLC6A4ALDH1A1
1,2-Diethoxybenzene SCHEMBL28398613 0.62 L3MBTL1 (0.74) L3MBTL1GLAMRGPRX4ALDH1A1MAPT
SCHEMBL10345634 0.62 SIGMAR1 (0.45) L3MBTL1GLAOPRM1SLC6A2SLC6A4
SCHEMBL24944661 0.61 OPRM1 (0.48) L3MBTL1GLAKDM4EOPRM1HTT

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
EP-0152236-B1 ARYLOXYMETHYLPYRROLIDINOLS AND PIPERIDINOLS HAVING ANTIDEPRESSANT, ANTIARHYTHMIC OR HYPOTENSIVE ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-04-18 EP disclosed