Oxalic Acid

Oxalic Acid

SCHEMBL7921703

COc1cc2c(cc1OCCN(C)C)N(C(=O)C1(c3noc(C)n3)C=CC(c3ccccc3C)=CC1)C(C)CC2.O=C(O)C(=O)O

nearest known ligand 0.46

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 0.36
HTR1D P28221 6/20 0.46
HTR1B P28222 6/20 0.46
HTR2A P28223 4/20 0.46
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36

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 SCHEMBL7921698 0.83 HTR1D (0.46) HTR1DHTR1BHTR2AALDH1A1KDM4E
Oxalic Acid SCHEMBL6924935 0.75 HTR1D (0.74) HTR1DHTR1BHTR2AALDH1A1KDM4E
SCHEMBL29055273 0.69 HTR1D (0.39) HTR1DHTR1BHTR2AALDH1A1KDM4E
Oxalic Acid SCHEMBL6928211 0.69 HTR1D (0.71) HTR1DHTR1BHTR2AALDH1A1KDM4E
SCHEMBL29055293 0.69 FGFR4 (0.42) HTR1DHTR1BHTR2AALDH1A1KDM4E
SCHEMBL7448439 0.68 HTR1D (0.54) HTR1DHTR1BHTR2AALDH1A1KDM4E
SCHEMBL7922225 0.68 NR1H4 (0.39) ALDH1A1MEN1TP53CYP1A2MAPT
SCHEMBL7920441 0.67 MCHR1 (0.45) HTR1DHTR1BHTR2AALDH1A1KDM4E
SCHEMBL29055279 0.67 HTR1D (0.34) HTR1DHTR1BHTR2AALDH1A1KDM4E
SCHEMBL29055283 0.67 FGFR4 (0.41) HTR1DHTR1BHTR2AALDH1A1KDM4E

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