Oxalic Acid

Oxalic Acid

SCHEMBL9702271

C1=C(c2nc(-c3ccccc3)no2)CNCC1.C1=C(c2nc(-c3ccccc3)no2)CNCC1.O=C(O)C(=O)O

nearest known ligand 0.53

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
NR1H4 Q96RI1 3/20 0.50
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAPT P10636 3/20 0.43
CHUK O15111 1/20 0.43
CASP3 P42574 1/20 0.43
TXNRD1 Q16881 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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 SCHEMBL9702276 1.00 NR1H4 (0.50) NR1H4CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9703130 0.82 NPC1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9703119 0.82 NPC1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10519740 0.80 NR1H4 (0.52) NR1H4CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL10420357 0.80 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10420362 0.80 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL4139739 0.79 CHRM2 (0.48) NR1H4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL10519609 0.79 NR1H4 (0.51) NR1H4CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL9702339 0.77 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9704125 0.77 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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