Oxalic Acid

Oxalic Acid

SCHEMBL8919160

CCc1c(CCN2CCC(c3n[nH]c4cc(F)ccc34)CC2)sc2c1CCN(C(C)=O)C2.O=C(O)C(=O)O

nearest known ligand 0.39

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 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.35
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
RBP4 P02753 3/20 0.38
CCR3 P51677 2/20 0.37
HTR2A P28223 5/20 0.36
HTR7 P34969 5/20 0.36
DRD2 P14416 5/20 0.36
KCNH2 Q12809 3/20 0.35
BAZ2B Q9UIF8 1/20 0.35
MCHR1 Q99705 2/20 0.34

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
SCHEMBL8918401 0.84 HTR1D (0.49) TP53MAPTGAACCR3HTR2A
SCHEMBL8918089 0.84 DRD2 (0.54) HTR2AHTR7DRD2KCNH2SLC6A4
Oxalic Acid SCHEMBL8991806 0.84 CTSS (0.40) TP53MAPTGAACCR3HTR2A
Oxalic Acid SCHEMBL8919091 0.83 CTSS (0.43) TP53MAPTGAACCR3MCHR1
Oxalic Acid SCHEMBL8917045 0.82 CTSS (0.39) TP53MAPTGAACCR3HTR2A
SCHEMBL8916920 0.81 CTSS (0.41) TP53MAPTGAACCR3HTR2A
SCHEMBL8919136 0.81 CTSS (0.40) TP53MAPTGAACCR3HTR2A
SCHEMBL8916709 0.81 CTSS (0.49) TP53MAPTGAARBP4CCR3
SCHEMBL8916426 0.80 MAPT (0.40) TP53MAPTGAARBP4CCR3
SCHEMBL8916164 0.80 CTSS (0.48) TP53MAPTGAARBP4HTR2A

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