Oxalic Acid

Oxalic Acid

SCHEMBL8917571

CC(=O)N1CCc2c(sc(CCN3CCC(c4coc5cc(F)ccc45)CC3)c2C(C)O)C1.O=C(O)C(=O)O

nearest known ligand 0.49

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 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.49
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 14/20 0.37
DRD2 P14416 11/20 0.37
DRD3 P35462 6/20 0.37
HTR7 P34969 8/20 0.35
KCNH2 Q12809 8/20 0.35

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
SCHEMBL8916164 0.86 CTSS (0.48) CTSSTP53GAAMAPTHTR2A
Hydrochloric Acid SCHEMBL8920393 0.86 CTSS (0.48) CTSSTP53GAAMAPTHTR2A
Oxalic Acid SCHEMBL8917876 0.86 HTR2A (0.51) HTR2ADRD2HTR7KCNH2
Hydrochloric Acid SCHEMBL8918060 0.85 CTSS (0.48) CTSSTP53GAAMAPTHTR2A
SCHEMBL8917007 0.82 CTSS (0.46) CTSSHTR2ADRD2DRD3HTR7
Hydrochloric Acid SCHEMBL8920342 0.81 CTSS (0.49) CTSSHTR2ADRD2DRD3HTR7
Hydrochloric Acid SCHEMBL8916924 0.81 CTSS (0.45) CTSSHTR2ADRD2DRD3HTR7
SCHEMBL8917881 0.78 CTSS (0.40) CTSSHTR2ADRD2DRD3
SCHEMBL8916768 0.78 CTSS (0.40) CTSSTP53MAPTHTR2ADRD2
Hydrochloric Acid SCHEMBL8917167 0.77 CTSS (0.40) CTSSTP53MAPTHTR2ADRD2

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