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Oxalic Acid

Oxalic Acid

SCHEMBL7982005

COc1cc(Cc2c(-c3ccc(OCCCC(=O)O)cc3)sc3ccccc23)ccc1OCCN1CCCC1.O=C(O)C(=O)O

nearest known ligand 0.59

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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 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 10/20 0.59
▸ ESR1 P03372 7/20 0.55
▸ ESR2 Q92731 7/20 0.55
▸ LTA4H P09960 1/20 0.51
▸ ITGA4 P13612 1/20 0.50

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 SCHEMBL7981792 0.94 F2 (0.58) F2ESR1ESR2LTA4HITGA4
SCHEMBL6597611 0.91 F2 (0.67) F2ESR1ESR2LTA4HITGA4
SCHEMBL7987881 0.88 F2 (0.67) F2ESR1ESR2
Oxalic Acid SCHEMBL6593888 0.87 F2 (0.75) F2ESR1ESR2ITGA4
SCHEMBL7452480 0.86 F2 (0.53) F2ESR1ESR2ITGA4
SCHEMBL7973008 0.85 F2 (0.66) F2ESR1ESR2LTA4H
SCHEMBL6605492 0.85 F2 (0.53) F2ESR1ESR2ITGA4
SCHEMBL7983860 0.85 F2 (0.53) F2ESR1ESR2ITGA4
Oxalic Acid SCHEMBL6174227 0.84 F2 (0.53) F2ESR1ESR2LTA4H
Oxalic Acid SCHEMBL6174230 0.84 F2 (0.53) F2ESR1ESR2LTA4H

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