Oxalic Acid

Oxalic Acid

SCHEMBL7919986

COc1ccc(NC(=O)C2(c3noc(C)n3)C=CC(c3ccccc3C)=CC2)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 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
HTR2A P28223 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPK1 P28482 2/20 0.33
HTR2C P28335 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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 SCHEMBL7919983 0.81 HSD17B10 (0.33) MAPTMEN1KMT2ATDP1HTR1D
SCHEMBL7920441 0.79 MCHR1 (0.45) MAPTMEN1KMT2ATDP1HTR1D
SCHEMBL7920436 0.78 MCHR1 (0.43) MAPTMEN1KMT2ATDP1HTR1D
Hydrochloric Acid SCHEMBL7913385 0.76 HTR1D (0.38) MAPTMEN1KMT2ATDP1HTR1D
SCHEMBL7448439 0.75 HTR1D (0.54) MAPTMEN1KMT2ATDP1HTR1D
Oxalic Acid SCHEMBL6927515 0.74 HTR1D (0.60) MAPTMEN1KMT2ATDP1HTR1D
SCHEMBL7922225 0.72 NR1H4 (0.39) MAPTMEN1KMT2AHSD17B10TP53
SCHEMBL8794162 0.71 HTR1D (0.62) MAPTMEN1KMT2ATDP1HTR1D
SCHEMBL8793871 0.66 HTR1D (0.37) MAPTMEN1KMT2ATDP1HTR1D
SCHEMBL29055273 0.64 HTR1D (0.39) MAPTMEN1KMT2ATDP1HTR1D

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