Oxalic Acid

Oxalic Acid

SCHEMBL9704052

CN1CC=C(c2nc(-c3ccccc3)no2)CC1.O=C(O)C(=O)O

nearest known ligand 0.55

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
MAPT P10636 1/20 0.52
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR6 P50406 1/20 0.43
QDPR P09417 1/20 0.43
LMNA P02545 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 SCHEMBL9704039 1.00 MAPT (0.52) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
Oxalic Acid SCHEMBL9704011 0.81 CHRM2 (0.70) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9704025 0.81 CHRM2 (0.70) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10420364 0.79 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10420367 0.79 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10419477 0.77 ABL1 (0.47) MAPTCHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL10419481 0.77 ABL1 (0.47) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL8611543 0.74 DRD4 (0.60) MAPTALDH1A1SMN1; SMN2NR1H4LMNA
Oxalic Acid SCHEMBL10418507 0.74 ABL1 (0.57) MAPTCHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL10418510 0.74 ABL1 (0.57) MAPTCHRM2CHRM4CHRM5CHRM1

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
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