Oxalic Acid

Oxalic Acid

SCHEMBL4736867

COc1ccc2cc(C(CCN(C)Cc3ccccc3)Oc3ccc(C(F)(F)F)cc3)ccc2c1.Fc1ccc(C(CCN2CCCC2)Oc2ccc(C(F)(F)F)cc2)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.51

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 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.49
SLC6A9 P48067 12/20 0.51
HTR1A P08908 5/20 0.51
HRH3 Q9Y5N1 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A5 Q9Y345 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 SCHEMBL4740934 0.83 SLC6A9 (0.67) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
Oxalic Acid SCHEMBL4739725 0.81 HTR1A (0.67) SLC6A9HTR1ASLC6A4HRH3
Oxalic Acid SCHEMBL4739539 0.80 HTR1A (0.66) SLC6A9HTR1ASLC6A4HRH3
SCHEMBL7935252 0.75 SLC6A4 (0.75) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
Oxalic Acid SCHEMBL4784368 0.74 HTR1A (0.61) SLC6A9HTR1ASLC6A4HRH3
Hydrochloric Acid SCHEMBL8723130 0.74 SLC6A4 (0.73) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
Oxalic Acid SCHEMBL4783308 0.74 MEN1 (0.54) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
Oxalic Acid SCHEMBL4740319 0.73 SLC6A4 (0.72) SLC6A9SLC6A4HRH3ALDH1A1CYP2D6
Oxalic Acid SCHEMBL4785219 0.73 HTR1A (0.67) SLC6A9HTR1ASLC6A4HRH3
Oxalic Acid SCHEMBL7437107 0.72 SLC6A4 (0.56) SLC6A9HTR1ASLC6A4HRH3

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