Oxalic Acid

Oxalic Acid

SCHEMBL6924935

COc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)C(C)CC2.O=C(O)C(=O)O

nearest known ligand 0.74

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 4/20 0.57
HTR1D P28221 14/20 0.74
HTR1B P28222 12/20 0.74
HTR2A P28223 9/20 0.74
MEN1 O00255 5/20 0.58
MAPT P10636 5/20 0.58
KMT2A Q03164 5/20 0.58
TDP1 Q9NUW8 5/20 0.58
MAPK1 P28482 4/20 0.58
TP53 P04637 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
HTR2C P28335 3/20 0.57
CHRM2 P08172 2/20 0.57

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 SCHEMBL6928211 0.93 HTR1D (0.71) HTR1DHTR1BHTR2AMEN1MAPT
Oxalic Acid SCHEMBL6924129 0.85 HTR1D (0.86) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6928454 0.85 HTR1D (1.00) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL5432776 0.84 HTR1D (0.91) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6928214 0.81 HTR1D (0.65) HTR1DHTR1BHTR2AMEN1MAPT
Oxalic Acid SCHEMBL6926220 0.79 HTR1D (0.65) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8543676 0.77 HTR1D (0.85) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7071788 0.77 HTR1D (0.68) HTR1DHTR1BHTR2AMEN1MAPT
Oxalic Acid SCHEMBL7921698 0.76 HTR1D (0.46) HTR1DHTR1BHTR2AMEN1MAPT
Oxalic Acid SCHEMBL7921703 0.75 HTR1D (0.46) HTR1DHTR1BHTR2AMEN1MAPT

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
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed