Oxalic Acid

Oxalic Acid

SCHEMBL7919983

COc1ccc(NC(=O)C2(c3noc(C)n3)C=CC(c3ccccc3C)C=C2)cc1OC1=CN(C)C=CC=C1.O=C(O)C(=O)O

nearest known ligand 0.33

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 2/20 0.31
HSD17B10 Q99714 4/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 5/20 0.32
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
TP53 P04637 4/20 0.31
HTR1D P28221 3/20 0.31
HTR1B P28222 3/20 0.31
HTR2A P28223 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
CYP2D6 P10635 2/20 0.31
MAPK1 P28482 2/20 0.31
HPGD P15428 2/20 0.31
HTR2C P28335 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31

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 SCHEMBL7919986 0.81 MAPT (0.33) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL7920439 0.77 MCHR1 (0.46) HSD17B10MAPTMEN1KMT2ACYP3A4
SCHEMBL7920434 0.77 MCHR1 (0.45) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL7921711 0.75 EHMT2 (0.39) HSD17B10LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7913382 0.74 HTR1D (0.38) HSD17B10LMNAMAPTMEN1KMT2A
Oxalic Acid SCHEMBL6927515 0.74 HTR1D (0.60) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL7448433 0.73 HTR1D (0.54) HSD17B10MAPTMEN1KMT2ACYP3A4
SCHEMBL8794162 0.71 HTR1D (0.62) HSD17B10LMNAMAPTMEN1KMT2A
SCHEMBL7922222 0.70 NR1H4 (0.34)
SCHEMBL8793866 0.65 HTR1D (0.37) HSD17B10MAPTMEN1KMT2ACYP3A4

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-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed