Oxalic Acid

Oxalic Acid

SCHEMBL6645100

CN(C)CCc1c(N)oc2ccc(C(=O)c3cccs3)nc12.O=C(O)C(=O)O

nearest known ligand 0.37

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
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALOX15 P16050 3/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR1F P30939 1/20 0.36
PREP P48147 1/20 0.35
ADORA1 P30542 4/20 0.33
HPGD P15428 3/20 0.33
ADORA2A P29274 3/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
HPGDS O60760 1/20 0.33
LMNA P02545 2/20 0.32

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 SCHEMBL6643021 0.80 HTR1F (0.52) SMN1; SMN2MAPTNPC1RAB9AMAPK1
Oxalic Acid SCHEMBL6644450 0.79 MAPT (0.34) SMN1; SMN2MAPTNPC1RAB9AALOX15
Oxalic Acid SCHEMBL6644453 0.77 HTR1F (0.40) SMN1; SMN2MAPTNPC1RAB9AALOX15
Oxalic Acid SCHEMBL6645098 0.74 NOS3 (0.35) SMN1; SMN2MAPTNPC1RAB9AALOX15
Oxalic Acid SCHEMBL6806129 0.74 HTR1F (0.63) SMN1; SMN2MAPTNPC1RAB9AMAPK1
Oxalic Acid SCHEMBL6799756 0.65 NPC1 (0.47) SMN1; SMN2MAPTNPC1RAB9AALOX15
SCHEMBL9868165 0.63 MAPT (0.53) SMN1; SMN2MAPTNPC1RAB9AALOX15
Oxalic Acid SCHEMBL6646761 0.60 HTR1F (0.65) SMN1; SMN2MAPTNPC1RAB9AHTR1F
SCHEMBL471019 0.59 ALDH1A1 (0.69) SMN1; SMN2MAPTNPC1RAB9AMAPK1
Oxalic Acid SCHEMBL11705283 0.58 HPGDS (0.47) SMN1; SMN2MAPTNPC1RAB9AHPGD

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-1155020-B1 FURO[3,2-B]PYRIDINES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2004-02-04 EP disclosed