Oxalic Acid

Oxalic Acid

SCHEMBL4739725

Fc1ccc(C(CCN2CCCC2)Oc2ccc(C(F)(F)F)cc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.67

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 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 4/20 0.56
HTR1A P08908 10/20 0.67
HRH3 Q9Y5N1 4/20 0.56
SLC6A9 P48067 2/20 0.53
CCR2 P41597 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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 SCHEMBL4739539 0.99 HTR1A (0.66) HTR1AHRH3SLC6A4SLC6A9CCR2
Oxalic Acid SCHEMBL4784368 0.92 HTR1A (0.61) HTR1AHRH3SLC6A4SLC6A9CCR2
Oxalic Acid SCHEMBL4785219 0.90 HTR1A (0.67) HTR1AHRH3SLC6A4SLC6A9
Oxalic Acid SCHEMBL7437107 0.89 SLC6A4 (0.56) HTR1AHRH3SLC6A4SLC6A9SLC6A2
SCHEMBL7430403 0.83 SLC6A4 (0.57) HTR1AHRH3SLC6A4SLC6A2SLC6A3
SCHEMBL7434240 0.83 SLC6A4 (0.61) HTR1AHRH3SLC6A4SLC6A2SLC6A3
SCHEMBL7435355 0.81 HRH3 (0.57) HTR1AHRH3SLC6A4
Oxalic Acid SCHEMBL4736867 0.81 SLC6A9 (0.51) HTR1AHRH3SLC6A4SLC6A9
SCHEMBL7435052 0.80 HRH3 (0.62) HTR1AHRH3SLC6A4
SCHEMBL10053313 0.80 HTR1A (0.69) HTR1A

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
WO-2008081477-A1 3-ARYLOXY 3-SUBSTITUTED PROPANAMINES NATCO PHARMA LIMITED (IN) 2008-07-10 WO disclosed