Oxalic Acid

Oxalic Acid

SCHEMBL4783308

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OC)c(OC)c1.COc1ccc(C(CCN(C)Cc2ccccc2)Oc2ccc(C(F)(F)F)cc2)cc1OC.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 3/20 0.54
OPRM1 known ✓ P35372 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 4/20 0.54
NPC1 O15118 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
MTOR P42345 2/20 0.54
RAB9A P51151 2/20 0.54
CYP3A4 P08684 2/20 0.54
SLC6A2 P23975 2/20 0.54
HTR2C P28335 2/20 0.54
SLC6A3 Q01959 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54

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 SCHEMBL4736671 0.88 SLC6A4 (0.63) MEN1KMT2ALMNASLC6A4NPC1
Oxalic Acid SCHEMBL4740934 0.85 SLC6A9 (0.67) SLC6A4CYP2D6CYP2C19HRH3CYP2C9
Oxalic Acid SCHEMBL4786635 0.83 SLC6A4 (0.57) MEN1KMT2ALMNASLC6A4NPC1
SCHEMBL7935252 0.78 SLC6A4 (0.75) MEN1KMT2ALMNASLC6A4NPC1
Fluoxetine SCHEMBL8722258 0.78 SLC6A4 (0.88) MEN1KMT2ALMNASLC6A4NPC1
Hydrochloric Acid SCHEMBL8723130 0.77 SLC6A4 (0.73) MEN1KMT2ALMNASLC6A4NPC1
Fluoxetine SCHEMBL3438651 0.75 SLC6A4 (0.82) MEN1KMT2ALMNASLC6A4NPC1
Oxalic Acid SCHEMBL4739531 0.74 SLC6A4 (0.72) MEN1KMT2ALMNASLC6A4NPC1
Oxalic Acid SCHEMBL4736867 0.74 SLC6A9 (0.51) SLC6A4CYP2D6CYP2C19HRH3CYP2C9
Fluoxetine SCHEMBL6008121 0.74 SLC6A4 (0.88) MEN1KMT2ALMNASLC6A4NPC1

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