Oxalic Acid

Oxalic Acid

SCHEMBL29680556

CN(C)CCCCNCc1ccc(-c2cc(-c3ccc(CNCCCCN(C)C)cc3)c3ccn(Cc4ccccc4)c3n2)cc1.O=C(O)C(=O)O

nearest known ligand 0.40

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
OPRM1 known ✓ P35372 1/20 0.36
MOK Q9UQ07 1/20 0.40
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
HRH3 Q9Y5N1 1/20 0.38
HTR5A P47898 1/20 0.37
KDM4E B2RXH2 6/20 0.37
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
P4HB P07237 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CACNA1G O43497 1/20 0.36
TERT O14746 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
OPRK1 P41145 1/20 0.36
MAOB P27338 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL29680300 0.95 HRH3 (0.40) MOKHRH3TERTCCNA2CDK2
Oxalic Acid SCHEMBL29680687 0.78 JAK1 (0.43) MOKHDAC1TERTCCNA2CDK2
Oxalic Acid SCHEMBL29680780 0.77 BCHE (0.42) BCHEACHEKDM4EHDAC1ALDH1A1
SCHEMBL24528696 0.77 KDM4E (0.41) KDM4EALDH1A1MAPK1MAOBHTR6
SCHEMBL29680758 0.77 KDM4E (0.41) KDM4EALDH1A1MAPK1MAOBHTR6
SCHEMBL24528641 0.74 ADORA2A (0.46) HDAC1ALDH1A1HTR6
SCHEMBL29680818 0.74 ADORA2A (0.46) HDAC1ALDH1A1HTR6
SCHEMBL29680600 0.72 TMEM97 (0.43) BCHEACHEKDM4EMAPK1NPSR1
SCHEMBL29680686 0.71 TERT (0.41) MOKHRH3TERTCCNA2CDK2
Oxalic Acid SCHEMBL29680599 0.69 TERT (0.40) HTR5AKDM4EHDAC1ALDH1A1MAPK1

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-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP claimed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO claimed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed