Oxalic Acid

Oxalic Acid

SCHEMBL9687340

CCCCCn1cc(CCN(C)C)c2cc(CS(=O)(=O)NC)ccc21.O=C(O)C(=O)O

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1E P28566 1/20 0.48
HTR1F P30939 1/20 0.48
HTR7 P34969 1/20 0.48
HTR3A P46098 1/20 0.48
HTR5A P47898 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
HTR6 P50406 6/20 0.45
ICMT O60725 10/20 0.44
CDC25A P30304 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 SCHEMBL9688528 0.88 HTR6 (0.46) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL9687324 0.84 HTR1A (0.57) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL13651695 0.83 HTR1A (0.56) HTR2AHTR2CHTR2BHTR1AHTR1D
Hydrochloric Acid SCHEMBL9687692 0.83 HTR1A (0.56) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL9765127 0.81 HTR6 (0.61) HTR2AHTR2CHTR2BHTR1AHTR1D
Oxalic Acid SCHEMBL10720432 0.80 HTR1A (0.49) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL9687900 0.80 HTR1A (0.55) HTR2AHTR2CHTR2BHTR1AHTR1D
Oxalic Acid SCHEMBL9597338 0.80 HTR1A (0.51) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL9688466 0.80 HTR1A (0.60) HTR2AHTR2CHTR2BHTR1AHTR1D
Oxalic Acid SCHEMBL9597834 0.79 HTR6 (0.64) HTR2AHTR2CHTR2BHTR1AHTR1D

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
EP-0500086-A1 Indole derivatives, their use as medicines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1992-08-26 EP disclosed