Oxalic Acid

Oxalic Acid

SCHEMBL7775811

O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.c1ccc2c(Cc3ccc(NCCN4CCCC4)cc3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1

nearest known ligand 0.56

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
F2 P00734 9/20 0.56
ITGA4 P13612 1/20 0.55
ESR1 P03372 8/20 0.55
ESR2 Q92731 7/20 0.55
LTA4H P09960 1/20 0.47
HTT P42858 1/20 0.47

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 SCHEMBL7986025 0.89 F2 (0.62) F2ITGA4ESR1ESR2LTA4H
Oxalic Acid SCHEMBL6171351 0.88 F2 (0.55) F2ITGA4ESR1ESR2
Oxalic Acid SCHEMBL6174272 0.88 F2 (0.57) F2ITGA4ESR1ESR2HTT
Oxalic Acid SCHEMBL7990629 0.87 F2 (0.60) F2ITGA4ESR1ESR2LTA4H
Oxalic Acid SCHEMBL6174231 0.86 ESR1 (0.55) F2ITGA4ESR1ESR2
Oxalic Acid SCHEMBL7768261 0.86 ESR1 (0.76) F2ESR1ESR2
Oxalic Acid SCHEMBL6173739 0.86 F2 (0.57) F2ITGA4ESR1ESR2HTT
SCHEMBL6596926 0.86 ITGA4 (0.69) F2ITGA4ESR1ESR2LTA4H
Oxalic Acid SCHEMBL7986090 0.86 ITGA4 (0.60) F2ITGA4ESR1ESR2
SCHEMBL7415846 0.85 F2 (0.62) F2ITGA4ESR1ESR2LTA4H

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
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed