Oxalic Acid

Oxalic Acid

SCHEMBL7413196

Cc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)ccc1C(=O)N1CCCC1.O=C(O)C(=O)O

nearest known ligand 0.58

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 9/20 0.58
ESR1 P03372 10/20 0.56
ESR2 Q92731 10/20 0.56
ITGA4 P13612 1/20 0.52

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 SCHEMBL7411126 0.91 ESR1 (0.62) F2ESR1ESR2ITGA4
SCHEMBL7415648 0.88 ESR1 (0.65) F2ESR1ESR2ITGA4
SCHEMBL7415915 0.86 ESR1 (0.61) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7986025 0.84 F2 (0.62) F2ESR1ESR2ITGA4
SCHEMBL6592349 0.84 F2 (0.64) F2ESR1ESR2ITGA4
SCHEMBL7414626 0.83 F2 (0.63) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7990629 0.83 F2 (0.60) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6174272 0.82 F2 (0.57) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6593888 0.81 F2 (0.75) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL7986090 0.81 ITGA4 (0.60) F2ESR1ESR2ITGA4

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