Oxalic Acid

Oxalic Acid

SCHEMBL6174305

COc1cc(C(=O)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1.O=C(O)C(=O)O

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.46
OPRM1 known ✓ P35372 1/20 0.46
F2 P00734 6/20 0.52
ESR1 P03372 13/20 0.50
ESR2 Q92731 13/20 0.50
MEN1 O00255 1/20 0.46
PLD2 O14939 1/20 0.46
KDM1A O60341 1/20 0.46
NR1I2 O75469 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
C5 P01031 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
FYN P06241 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 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
SCHEMBL6174072 0.89 ENPP3 (0.47) F2ESR1ESR2ALDH1A1
Oxalic Acid SCHEMBL6173105 0.87 F2 (0.70) F2TSHR
SCHEMBL6172358 0.85 F2 (0.70) F2TSHR
SCHEMBL6172000 0.81 ESR1 (0.61) F2ESR1ESR2MEN1PLD2
SCHEMBL6597230 0.80 F2 (0.73) F2ESR1ESR2MEN1PLD2
SCHEMBL6171170 0.79 ESR1 (0.59) F2ESR1ESR2MEN1PLD2
SCHEMBL6596053 0.79 ESR1 (0.79) F2ESR1ESR2MEN1PLD2
SCHEMBL7323038 0.76 F2 (0.59) F2ESR1ESR2MEN1PLD2
SCHEMBL7323044 0.76 F2 (0.59) F2ESR1ESR2MEN1PLD2
SCHEMBL7819814 0.76 GAA (0.51) F2MEN1ALDH1A1TSHRKMT2A

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
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed