Oxalic Acid

Oxalic Acid

SCHEMBL9518042

NC(CCCc1cccc2ccccc12)c1cccc(Cl)c1.NC(CCCc1cccc2ccccc12)c1cccc(Cl)c1.O=C(O)C(=O)O

nearest known ligand 0.42

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 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MTNR1A P48039 1/20 0.40
MCL1 Q07820 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
METAP2 P50579 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
LMNA P02545 1/20 0.38
IDO1 P14902 2/20 0.38
CTNNB1 P35222 1/20 0.38
TDO2 P48775 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADA P00813 1/20 0.38

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 SCHEMBL9518051 1.00 KMT2A (0.42) KMT2AMEN1MTNR1AMCL1TDP1
Oxalic Acid SCHEMBL9517855 0.89 KMT2A (0.48) KMT2AMTNR1AMCL1TDP1SLC1A3
Oxalic Acid SCHEMBL9517848 0.89 KMT2A (0.48) KMT2AMTNR1AMCL1TDP1SLC1A3
SCHEMBL9518025 0.82 SIGMAR1 (0.46) MTNR1AMCL1TDP1SLC1A3SLC1A2
Oxalic Acid SCHEMBL9614065 0.79 KMT2A (0.53) KMT2AMEN1MCL1TDP1
SCHEMBL1702547 0.74 IDO1 (0.48) KMT2AMEN1IDO1
SCHEMBL5322260 0.74 SLC1A3 (0.51) KMT2AMTNR1AMCL1TDP1SLC1A3
Oxalic Acid SCHEMBL9518056 0.74 MEN1 (0.52) KMT2AMEN1MTNR1AMCL1TDP1
SCHEMBL8329891 0.74 MTNR1A (0.44) MTNR1ATDP1SLC1A3SLC1A2SLC1A1
Oxalic Acid SCHEMBL9519031 0.73 OPRM1 (0.48) KMT2AMTNR1AMCL1TDP1METAP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318234-B1 IMPROVEMENTS IN OR RELATING TO SELECTIVE SEROTONIN UPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0211721-B1 PHENYLETHANOL AMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1989-10-04 EP disclosed
EP-0318234-A2 Improvements in or relating to selective serotonin uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed