Oxalic Acid

Oxalic Acid

SCHEMBL7413896

CC(COc1ccc(C(=O)c2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)cc1)N1CCCC1=O.O=C(O)C(=O)O

nearest known ligand 0.68

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 0.55
OPRM1 known ✓ P35372 1/20 0.55
ESR1 P03372 19/20 0.68
ESR2 Q92731 19/20 0.68
F2 P00734 1/20 0.60
MEN1 O00255 1/20 0.55
PLD2 O14939 1/20 0.55
KDM1A O60341 1/20 0.55
NR1I2 O75469 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
C5 P01031 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
FYN P06241 1/20 0.55
PGR P06401 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55

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 SCHEMBL7413891 1.00 ESR1 (0.68) ESR1ESR2F2MEN1PLD2
SCHEMBL7408397 0.98 ESR1 (0.70) ESR1ESR2F2MEN1PLD2
SCHEMBL7408395 0.98 ESR1 (0.70) ESR1ESR2F2MEN1PLD2
SCHEMBL7414728 0.98 ESR1 (0.70) ESR1ESR2F2MEN1PLD2
Oxalic Acid SCHEMBL7414313 0.87 F2 (0.51) ESR1ESR2F2
Oxalic Acid SCHEMBL7414182 0.87 F2 (0.51) ESR1ESR2F2
Oxalic Acid SCHEMBL7414178 0.87 F2 (0.51) ESR1ESR2F2
SCHEMBL7768315 0.87 ESR1 (0.76) ESR1ESR2F2MEN1PLD2
SCHEMBL7768313 0.87 ESR1 (0.76) ESR1ESR2F2MEN1PLD2
SCHEMBL7773970 0.87 ESR1 (0.76) ESR1ESR2F2MEN1PLD2

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-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed