Oxalic Acid

Oxalic Acid

SCHEMBL7989671

COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1C=O.O=C(O)C(=O)O

nearest known ligand 0.50

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 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.50
ESR2 Q92731 9/20 0.50
F2 P00734 9/20 0.49
ITGA4 P13612 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
SCHEMBL6603846 0.98 ESR1 (0.52) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7971945 0.92 F2 (0.50) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6609726 0.91 ESR1 (0.53) ESR1ESR2F2ITGA4
SCHEMBL7983860 0.91 F2 (0.53) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL6611102 0.90 ESR1 (0.49) ESR1ESR2F2ITGA4
Oxalic Acid SCHEMBL7981792 0.89 F2 (0.58) ESR1ESR2F2ITGA4
SCHEMBL7985788 0.89 ESR1 (0.52) ESR1ESR2F2ITGA4
SCHEMBL7972400 0.89 ESR1 (0.59) ESR1ESR2F2ITGA4
SCHEMBL6604504 0.89 F2 (0.58) ESR1ESR2F2ITGA4
SCHEMBL6606766 0.89 ESR1 (0.55) 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 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