Oxalic Acid

Oxalic Acid

SCHEMBL7411202

COc1cc(C(=O)c2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)ccc1CC#N.O=C(O)C(=O)O

nearest known ligand 0.70

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 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.70
ESR2 Q92731 19/20 0.70
F2 P00734 1/20 0.61

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
SCHEMBL7414713 0.98 ESR1 (0.73) ESR1ESR2F2
SCHEMBL6174326 0.85 ESR1 (0.77) ESR1ESR2F2
SCHEMBL7768296 0.84 ESR1 (0.71) ESR1ESR2F2
SCHEMBL4651940 0.84 ESR1 (0.98) ESR1ESR2F2
SCHEMBL7409821 0.84 ESR1 (0.98) ESR1ESR2F2
Oxalic Acid SCHEMBL7983157 0.84 ESR1 (0.64) ESR1ESR2F2
Oxalic Acid SCHEMBL7773946 0.83 ESR1 (0.82) ESR1ESR2F2
SCHEMBL6595006 0.83 ESR1 (1.00) ESR1ESR2F2
SCHEMBL4650742 0.83 ESR1 (1.00) ESR1ESR2F2
SCHEMBL6595547 0.83 ESR1 (0.92) ESR1ESR2F2

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-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed