Oxalic Acid

Oxalic Acid

SCHEMBL7986090

O=C(O)C(=O)O.OCCCCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.60

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 8)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.60
F2 P00734 9/20 0.59
ESR1 P03372 6/20 0.57
ESR2 Q92731 6/20 0.57
HRH3 Q9Y5N1 4/20 0.52
KCNH2 Q12809 2/20 0.52
HRH4 Q9H3N8 2/20 0.52
HRH1 P35367 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 SCHEMBL7990629 0.96 F2 (0.60) ITGA4F2ESR1ESR2
Oxalic Acid SCHEMBL7986025 0.95 F2 (0.62) ITGA4F2ESR1ESR2
SCHEMBL7981973 0.95 F2 (0.64) ITGA4F2ESR1ESR2
SCHEMBL6597629 0.90 F2 (0.67) ITGA4F2ESR1ESR2
SCHEMBL7982501 0.90 F2 (0.67) ITGA4F2ESR1ESR2
Oxalic Acid SCHEMBL6173739 0.88 F2 (0.57) ITGA4F2ESR1ESR2
SCHEMBL6596926 0.88 ITGA4 (0.69) ITGA4F2ESR1ESR2
SCHEMBL7415846 0.88 F2 (0.62) ITGA4F2ESR1ESR2
SCHEMBL6596335 0.87 ITGA4 (0.68) ITGA4F2ESR1ESR2
Hydrochloric Acid SCHEMBL7417691 0.87 F2 (0.59) ITGA4F2ESR1ESR2

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-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed