Oxalic Acid

Oxalic Acid

SCHEMBL9404477

COCc1cc(C2=CCCNC2)no1.O=C(O)C(=O)O

nearest known ligand 0.39

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
CHRM3 P20309 5/20 0.39
CHRM2 P08172 5/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
TSHR P16473 1/20 0.33
SLC6A1 P30531 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL10586253 0.93 CHRM2 (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9404365 0.82 CHRM2 (0.51) CHRM3CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9404337 0.80 TSHR (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9404274 0.78 CHRNB2 (0.34) NPC1RAB9ASMN1; SMN2L3MBTL1POLB
Oxalic Acid SCHEMBL9704979 0.76 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9704970 0.76 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9404481 0.71 CHRM1 (0.41) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL8403706 0.70 CHRM2 (0.43) CHRM3CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9404449 0.69 TSHR (0.40) CHRM3CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL10420357 0.67 CHRM2 (0.59) CHRM3CHRM2CHRM4CHRM5CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356912-A 3-(5-isoxazolyl)-1-methyl-1,2,3,6-tetrahydropyridine useful for treating Alzheimer's disease NOVO NORDISK A/S (DK) 1994-10-18 US disclosed
EP-0316718-A2 Azacyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-24 EP disclosed