Oxalic Acid

Oxalic Acid

SCHEMBL28544771

CCCCCCCCNC.O=C(O)C(=O)O

nearest known ligand 0.71

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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
EPHX1 P07099 7/20 0.71
ALOX15 P16050 2/20 0.52
S1PR2 O95136 5/20 0.50
S1PR4 O95977 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR5 Q9H228 1/20 0.50
CASP2 P42575 1/20 0.48
HAO1 Q9UJM8 1/20 0.47
PPARG P37231 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
TSHR P16473 3/20 0.46
GPR84 Q9NQS5 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TLR2 O60603 1/20 0.46

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 SCHEMBL28544769 1.00 EPHX1 (0.71) EPHX1ALOX15S1PR2S1PR4S1PR1
Oxalic Acid SCHEMBL2750536 0.98 EPHX1 (0.67) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL28186035 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL28549811 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL28186798 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL5430860 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL28549810 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL28237746 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL28186030 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1
Bicarbonate SCHEMBL28237747 0.93 EPHX1 (0.75) EPHX1ALOX15S1PR2S1PR4S1PR1

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
CN-112608241-B Preparation method of trioctyl ammonium methyl oxalate 江西理工大学 2023-06-30 CN disclosed
CN-112608241-A Preparation method of trioctylmethylammonium oxalate 江西理工大学 2021-04-06 CN disclosed