Oxalic Acid

Oxalic Acid

SCHEMBL7985630

COC(=O)CCCOc1ccc(-c2sc3ccc(OC)cc3c2Cc2ccc(CN3CCCC3)c(OC)c2)cc1.O=C(O)C(=O)O

nearest known ligand 0.61

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 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.61
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44

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 SCHEMBL7989917 0.91 F2 (0.63) F2MEN1KMT2AESR1ESR2
SCHEMBL7985805 0.90 F2 (0.66) F2ESR1ESR2
SCHEMBL7990712 0.87 F2 (0.80) F2ESR1ESR2
SCHEMBL6596059 0.86 F2 (0.78) F2ESR1ESR2
SCHEMBL7972046 0.86 F2 (0.66) F2ESR1ESR2
SCHEMBL7987881 0.85 F2 (0.67) F2ESR1ESR2
SCHEMBL7986605 0.84 ESR1 (0.55) F2ESR1ESR2
Oxalic Acid SCHEMBL7981827 0.84 F2 (0.65) F2ESR1ESR2
Oxalic Acid SCHEMBL7986656 0.83 F2 (0.52) F2ESR1ESR2
Oxalic Acid SCHEMBL6593888 0.83 F2 (0.75) F2ESR1ESR2

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