Oxalic Acid

Oxalic Acid

SCHEMBL29680770

CC(CCNCc1ccc(-c2nc(-c3ccc(CNCCC(C)N4CCN(C)CC4)cc3)c3ccn(-c4ccccc4)c3n2)cc1)N1CCN(C)CC1.O=C(O)C(=O)O

nearest known ligand 0.36

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 18)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.31
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PDE4B Q07343 2/20 0.34
KMT2A Q03164 2/20 0.33
TLR9 Q9NR96 1/20 0.33
HDAC1 Q13547 1/20 0.33
KDM5B Q9UGL1 2/20 0.33
SLC1A2 P43004 1/20 0.32
NAMPT P43490 1/20 0.32
MAP4K1 Q92918 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CACNA1G O43497 1/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31

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
SCHEMBL29680379 0.96 AKT1 (0.37) AKT1AKT2KDM4EPDE4BTLR9
Oxalic Acid SCHEMBL29680443 0.86 AKT1 (0.46) AKT1AKT2KDM4EGAAKMT2A
Oxalic Acid SCHEMBL29680606 0.84 KDM4E (0.36) KDM4EGAAPDE4BKMT2AHDAC1
Oxalic Acid SCHEMBL29680389 0.83 KDM4E (0.37) KDM4EGAAPDE4BKMT2AHDAC1
Oxalic Acid SCHEMBL29680298 0.82 HDAC1 (0.36) KDM4EGAAPDE4BKMT2AHDAC1
Oxalic Acid SCHEMBL29680467 0.81 KDM4E (0.36) KDM4EGAAPDE4BKMT2AHDAC1
SCHEMBL29680888 0.81 AKT1 (0.49) AKT1AKT2TLR9HDAC1CACNA1G
Oxalic Acid SCHEMBL29680387 0.81 KDM4E (0.37) KDM4EGAAPDE4BKMT2AHDAC1
SCHEMBL29680538 0.79 LSS (0.32) KDM4EPDE4BKMT2AHDAC1
Oxalic Acid SCHEMBL29680355 0.79 KDM4E (0.41) KDM4EGAAKMT2AHDAC1

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