Oxalic Acid

Oxalic Acid

SCHEMBL6174698

Cc1cc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)ccc1OC[C@H]1CCC(=O)N1.O=C(O)C(=O)O

nearest known ligand 0.48

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 10/20 0.48
ESR1 P03372 8/20 0.45
ESR2 Q92731 8/20 0.45
ITGA4 P13612 1/20 0.43

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 SCHEMBL6175989 1.00 F2 (0.48) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6173017 0.91 F2 (0.54) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6173030 0.91 F2 (0.54) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6173010 0.91 F2 (0.54) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6174230 0.88 F2 (0.53) F2ESR1ESR2
Oxalic Acid SCHEMBL6174227 0.88 F2 (0.53) F2ESR1ESR2
Oxalic Acid SCHEMBL6175212 0.84 ESR1 (0.52) F2ESR1ESR2ITGA4
SCHEMBL7818364 0.80 CD274 (0.43) ESR1ESR2
Oxalic Acid SCHEMBL6172019 0.80 F2 (0.49) F2ESR1ESR2ITGA4
SCHEMBL6592349 0.79 F2 (0.64) 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 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