Oxalic Acid

Oxalic Acid

SCHEMBL7313016

CN(C)CCC(Oc1cccc(C(F)(F)F)c1)c1ccccc1.O=C(O)C(=O)O

nearest known ligand 0.72

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 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.68
SLC6A9 P48067 10/20 0.72
HRH3 Q9Y5N1 2/20 0.68
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL9398411 0.95 SLC6A4 (0.74) SLC6A9SLC6A4HRH3KDM4E
Oxalic Acid SCHEMBL7317614 0.88 SLC6A4 (0.88) SLC6A9SLC6A4HRH3KDM4EALDH1A1
SCHEMBL9195891 0.86 SLC6A4 (0.60) SLC6A9SLC6A4HRH3ALDH1A1
Oxalic Acid SCHEMBL7309230 0.83 SLC6A4 (0.53) SLC6A9SLC6A4HRH3KDM4EALDH1A1
Oxalic Acid SCHEMBL7309554 0.83 SLC6A9 (0.56) SLC6A9SLC6A4HRH3
SCHEMBL12186131 0.83 SLC6A9 (0.70) SLC6A9SLC6A4HRH3KDM4EALDH1A1
SCHEMBL9398388 0.83 SLC6A9 (0.64) SLC6A9SLC6A4HRH3KDM4EALDH1A1
SCHEMBL7432206 0.82 SLC6A9 (0.58) SLC6A9SLC6A4HRH3
Oxalic Acid SCHEMBL7302789 0.82 SLC6A4 (0.62) SLC6A9SLC6A4HRH3KDM4E
SCHEMBL6565583 0.82 SLC6A9 (0.77) SLC6A9SLC6A4HRH3ALDH1A1

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 4 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-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 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