Oxalic Acid

Oxalic Acid

SCHEMBL7415113

COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1=O.O=C(O)C(=O)O

nearest known ligand 0.66

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 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.66
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
HTT P42858 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 SCHEMBL7407861 0.92 F2 (0.78) F2ESR1ESR2
SCHEMBL7420436 0.90 F2 (0.59) F2ESR1ESR2
SCHEMBL7421782 0.89 F2 (0.82) F2ESR1ESR2
SCHEMBL7536757 0.88 ESR1 (0.59) ESR1ESR2HTT
Oxalic Acid SCHEMBL7413790 0.85 F2 (0.77) F2ESR1ESR2
SCHEMBL6598562 0.85 F2 (0.74) F2ESR1ESR2
SCHEMBL7412678 0.84 F2 (0.70) F2ESR1ESR2
Oxalic Acid SCHEMBL7414117 0.84 F2 (0.69) F2ESR1ESR2
SCHEMBL7768104 0.84 F2 (0.68) F2ESR1ESR2
SCHEMBL7417931 0.84 F2 (0.62) F2ESR1ESR2

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