Oxalic Acid

Oxalic Acid

SCHEMBL8916163

CCc1c(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)sc2c1CCN(C(C)=O)C2.O=C(O)C(=O)O

nearest known ligand 0.45

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
OPRM1 known ✓ P35372 4/20 0.45
SLC6A4 known ✓ P31645 1/20 0.45
TP53 P04637 5/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
DGKA P23743 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
OPRK1 P41145 2/20 0.45

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
SCHEMBL8916882 0.86 TP53 (0.50) TP53MAPTOPRM1ALDH1A1LMNA
SCHEMBL8915727 0.83 HTR2C (0.52) CYP2D6HTR2AHTR2CCYP3A4HTR7
Oxalic Acid SCHEMBL8991806 0.78 CTSS (0.40) TP53MAPTDRD2HTR2AHTR7
Oxalic Acid SCHEMBL8916982 0.77 HTR2A (0.42) TP53MAPTLMNADRD2DRD4
Oxalic Acid SCHEMBL8919091 0.77 CTSS (0.43) TP53MAPTGAA
Oxalic Acid SCHEMBL8919160 0.77 TP53 (0.39) TP53MAPTDRD2HTR2ASLC6A4
SCHEMBL8916426 0.76 MAPT (0.40) TP53MAPTLMNAMEN1KMT2A
SCHEMBL8916680 0.76 HTR2C (0.52) CYP2D6HTR2AHTR2CCYP3A4HTR7
Oxalic Acid SCHEMBL8917045 0.76 CTSS (0.39) TP53MAPTDRD2HTR2AHTR7
SCHEMBL8916994 0.75 HTR2A (0.43) TP53MAPTMEN1KMT2ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed