Oxalic Acid

Oxalic Acid

SCHEMBL6173208

CNC(=O)Nc1cccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)c1.O=C(O)C(=O)O

nearest known ligand 0.54

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 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.54
ESR2 Q92731 9/20 0.54
F2 P00734 7/20 0.51
ITGA4 P13612 1/20 0.50
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 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 SCHEMBL6171351 0.91 F2 (0.55) ESR1ESR2F2ITGA4HRH3
SCHEMBL6173308 0.88 ESR1 (0.53) ESR1ESR2F2ITGA4
Hydrochloric Acid SCHEMBL6174126 0.88 ESR1 (0.56) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7986025 0.83 F2 (0.62) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6174272 0.82 F2 (0.57) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7990629 0.81 F2 (0.60) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7775811 0.81 F2 (0.56) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6174231 0.81 ESR1 (0.55) ESR1ESR2F2ITGA4
SCHEMBL6172621 0.80 F2 (0.58) ESR1ESR2F2ITGA4
Hydrochloric Acid SCHEMBL7418352 0.80 F2 (0.59) 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