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Oxalic Acid

Oxalic Acid

SCHEMBL6169922

Cc1cc(Cc2c(-c3ccc(OCC4CCC(=O)N4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1.O=C(O)C(=O)O

nearest known ligand 0.68

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
▸ F2 P00734 17/20 0.68
▸ ESR1 P03372 3/20 0.42
▸ ESR2 Q92731 3/20 0.42

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 SCHEMBL6169916 1.00 F2 (0.68) F2ESR1ESR2
SCHEMBL6173568 0.97 F2 (0.71) F2ESR1ESR2
SCHEMBL6176455 0.97 F2 (0.71) F2ESR1ESR2
SCHEMBL6173563 0.97 F2 (0.71) F2ESR1ESR2
Oxalic Acid SCHEMBL6173301 0.93 F2 (0.68) F2ESR1ESR2
Oxalic Acid SCHEMBL6173306 0.93 F2 (0.68) F2ESR1ESR2
SCHEMBL6172597 0.90 F2 (0.59) F2ESR1ESR2
SCHEMBL6172605 0.90 F2 (0.59) F2ESR1ESR2
Oxalic Acid SCHEMBL6171607 0.89 F2 (0.68) F2ESR1ESR2
Oxalic Acid SCHEMBL6173931 0.89 F2 (0.67) 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 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