Oxalic Acid

Oxalic Acid

SCHEMBL7409520

NCCC(Oc1ccc(F)cc1)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

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 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 5/20 0.62
SLC6A2 P23975 4/20 0.62
SLC6A3 Q01959 2/20 0.62
KCNK2 O95069 1/20 0.62
KCNH2 Q12809 1/20 0.62
CACNA1C Q13936 1/20 0.62
CYP2D6 P10635 3/20 0.53
NOS2 P35228 2/20 0.53
SLC6A9 P48067 3/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
SLC7A5 Q01650 9/20 0.51

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
SCHEMBL7053112 0.93 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Fumaric Acid SCHEMBL7312427 0.91 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Maleic Acid SCHEMBL7312415 0.91 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL7317056 0.86 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL7318674 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL7310720 0.86 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Norfluoxetine SCHEMBL7306073 0.85 SLC6A4 (0.87) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL7317717 0.84 SLC6A2 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17278097 0.82 SLC7A5 (0.72) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL1045800 0.81 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed