Oxalic Acid

Oxalic Acid

SCHEMBL8689744

CN1CCC(c2nc(-c3ccco3)cs2)C1.O=C(O)C(=O)O

nearest known ligand 0.42

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
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SCD5 Q86SK9 1/20 0.41
HSD11B1 P28845 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
DNMT1 P26358 1/20 0.39
NTMT1 Q9BV86 1/20 0.38
HPGD P15428 1/20 0.38

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 SCHEMBL8689265 0.81 ALDH1A1 (0.47) MAPTHSD17B10MEN1NPC1ALDH1A1
Oxalic Acid SCHEMBL8689582 0.79 HSD11B1 (0.44) NPC1ALDH1A1RAB9AHSD11B1L3MBTL1
Oxalic Acid SCHEMBL8687416 0.76 FAAH (0.41) HSD11B1FAAH
SCHEMBL1480507 0.76 KDM4E (0.50) MEN1NPC1ALDH1A1PKMRAB9A
Fumaric Acid SCHEMBL8687311 0.71 HSD11B1 (0.38) MAPTHSD11B1TDP1FAAH
Fumaric Acid SCHEMBL8687315 0.71 HSD11B1 (0.38) MAPTHSD11B1TDP1FAAH
SCHEMBL5113276 0.69 NPC1 (0.51) NPC1RAB9AL3MBTL1FAAH
SCHEMBL1475902 0.68 CTSL (0.55) MEN1NPC1ALDH1A1PKMRAB9A
Oxalic Acid SCHEMBL27501357 0.67 MAPT (0.49) MAPTHSD17B10MEN1NPC1ALDH1A1
Oxalic Acid SCHEMBL8688365 0.67 BTK (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834499-A TREATING GASTROINTESTINAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
CN-1143364-A 5-HT3 receptor agonist, novel thiazole derivative, and intermediate thereof YAMANOUCHI PHARMA CO LTD (JP) 1997-02-19 CN disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed