Oxalic Acid

Oxalic Acid

SCHEMBL9517859

O=C(O)C(=O)O.c1ccc(NCCCCc2cccc3ccccc23)cc1

nearest known ligand 0.51

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 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MCL1 Q07820 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NQO2 P16083 1/20 0.44
SLC16A3 O15427 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 SCHEMBL9518056 0.90 MEN1 (0.52) MTNR1AMAPTKMT2AMEN1TDP1
SCHEMBL10920355 0.88 SIGMAR1 (0.55) MTNR1AMAPTKMT2AMEN1TDP1
SCHEMBL30420224 0.81 MTNR1A (0.54) MTNR1AMAPTKMT2AMEN1TDP1
SCHEMBL11472364 0.80 MTNR1A (0.42) MTNR1AMAPTKMT2AMEN1SIGMAR1
Succinic Acid SCHEMBL9517552 0.79 MTNR1A (0.45) MTNR1AMAPTKMT2AMEN1TDP1
SCHEMBL9800436 0.76 CYP1A2 (0.58) MTNR1ATDP1MCL1SIGMAR1NQO2
SCHEMBL22129565 0.75 TDP1 (0.61) MTNR1AMAPTKMT2AMEN1TDP1
Oxalic Acid SCHEMBL9374016 0.75 TRPV1 (0.57) MAPTKMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL30900805 0.75 TDP1 (0.61) MTNR1AMAPTKMT2AMEN1TDP1
SCHEMBL1616841 0.74 TDP1 (0.59) MTNR1AMAPTKMT2AMEN1TDP1

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
EP-0318234-B1 IMPROVEMENTS IN OR RELATING TO SELECTIVE SEROTONIN UPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed