Oxalic Acid

Oxalic Acid

SCHEMBL6172865

O=C(O)C(=O)O.O=C1CC(CC(=O)c2ccc(-c3sc4ccccc4c3Cc3ccc(OCCN4CCCC4)cc3)cc2)CN1

nearest known ligand 0.52

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
ESR1 P03372 11/20 0.52
ESR2 Q92731 11/20 0.52
F2 P00734 8/20 0.49
ITGA4 P13612 1/20 0.48

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 SCHEMBL6175212 0.86 ESR1 (0.52) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6173579 0.84 F2 (0.49) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7986025 0.82 F2 (0.62) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7990629 0.81 F2 (0.60) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6173010 0.80 F2 (0.54) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6173017 0.80 F2 (0.54) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6173030 0.80 F2 (0.54) ESR1ESR2F2ITGA4
SCHEMBL6596926 0.80 ITGA4 (0.69) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7986090 0.80 ITGA4 (0.60) ESR1ESR2F2ITGA4
SCHEMBL7415915 0.79 ESR1 (0.61) ESR1ESR2F2ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed