Oxalic Acid

Oxalic Acid

SCHEMBL9703119

C1=C(c2nc(-c3cccs3)no2)CNCC1.C1=C(c2nc(-c3cccs3)no2)CNCC1.O=C(O)C(=O)O

nearest known ligand 0.48

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
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
MAPT P10636 5/20 0.48
ATM Q13315 2/20 0.48
TP53 P04637 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MCL1 Q07820 1/20 0.46
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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 SCHEMBL9703130 1.00 NPC1 (0.48) NPC1RAB9AMAPTATMTP53
Oxalic Acid SCHEMBL9702271 0.82 NR1H4 (0.50) NPC1RAB9AMAPTTP53MAOB
Oxalic Acid SCHEMBL9702276 0.82 NR1H4 (0.50) NPC1RAB9AMAPTTP53MAOB
Oxalic Acid SCHEMBL9702858 0.78 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9702846 0.78 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10420362 0.75 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10420357 0.75 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29140055 0.72 ADRA2A (0.41) MAPTKDM4EHPGDALDH1A1L3MBTL1
Oxalic Acid SCHEMBL9704110 0.72 CHRM2 (0.46) CA2CA9CHRM2CHRM4CHRM5
Oxalic Acid SCHEMBL9704125 0.72 CHRM2 (0.46) CA2CA9CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259621-B1 PIPERIDINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-11-25 EP disclosed
US-4933353-A ALZHEIMER*S DISEASE A/S FERROSAN (DE) 1990-06-12 US disclosed
US-4837241-A TREATMENT OF ALZEHEIMER*S DISEASE A/S FERROSAN (DK) 1989-06-06 US disclosed
EP-0259621-A2 Piperidine compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-03-16 EP disclosed