Oxalic Acid

Oxalic Acid

SCHEMBL8718092

NCCC(Oc1ccccc1C(F)(F)F)c1ccoc1.O=C(O)C(=O)O

nearest known ligand 0.44

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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 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 5/20 0.42
PPARG P37231 2/20 0.44
SLC6A2 P23975 5/20 0.42
NOS2 P35228 4/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNK2 O95069 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SLC7A5 Q01650 5/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL7056010 0.80 SLC6A2 (0.61) PPARGSLC6A2SLC6A4NOS2CYP2D6
Oxalic Acid SCHEMBL3203 0.79 SLC6A2 (0.49) PPARGSLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL5079373 0.72 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL5080428 0.72 SLC6A2 (0.51) PPARGSLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL17278135 0.72 SLC7A5 (0.65) PPARGSLC6A2SLC6A4SLC6A3KCNK2
Oxalic Acid SCHEMBL7317717 0.72 SLC6A2 (0.60) PPARGSLC6A2SLC6A4NOS2CYP2D6
SCHEMBL19668486 0.70 NOS2 (0.50) PPARGSLC6A2SLC6A4NOS2SLC6A3
SCHEMBL23521648 0.68 SLC6A2 (0.38) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
SCHEMBL21742901 0.68 SLC6A2 (0.38) SLC6A2SLC6A4NOS2CYP2D6SLC6A3
Oxalic Acid SCHEMBL4936002 0.68 SLC6A2 (0.59) SLC6A2SLC6A4NOS2CYP2D6SLC6A3

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
US-5744474-A ADMINISTERING VENLAFAXINE OR DULOXETINE; TREATING STRESS, URGE AND/OR NOCTURNAL URINARY INCONTINENCE ELI LILLY AND COMPANY (US) 1998-04-28 US disclosed