Oxalic Acid

Oxalic Acid

SCHEMBL29680467

CCC(CCNCc1ccc(-c2nc(-c3ccc(CNCCC(CC)N(C(C)C)C(C)C)cc3)c3ccn(-c4ccccc4)c3n2)cc1)N(C(C)C)C(C)C.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 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.33
PDE4B Q07343 2/20 0.33
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
ENPP1 P22413 1/20 0.32
TDP2 O95551 1/20 0.31
S1PR2 O95136 1/20 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
SCHEMBL29680525 0.96 ENPP1 (0.32) HDAC1ENPP1TDP2
Oxalic Acid SCHEMBL29680387 0.92 KDM4E (0.37) KDM4EGAAHDAC1PDE4BKMT2A
Oxalic Acid SCHEMBL29680919 0.89 KDM4E (0.35) KDM4EGAAHDAC1PDE4BKMT2A
SCHEMBL29680480 0.87 TDP2 (0.32) KDM4EGAAPDE4BKMT2AHPGD
Oxalic Acid SCHEMBL29680389 0.87 KDM4E (0.37) KDM4EGAAHDAC1PDE4BKMT2A
Oxalic Acid SCHEMBL29680606 0.86 KDM4E (0.36) KDM4EGAAHDAC1PDE4BKMT2A
SCHEMBL29680755 0.85 ABL1 (0.33) HDAC1PDE4BKMT2AHPGDMEN1
Oxalic Acid SCHEMBL29680298 0.84 HDAC1 (0.36) KDM4EGAAHDAC1PDE4BKMT2A
SCHEMBL29680879 0.82 TDP2 (0.32) KDM4EGAAHDAC1PDE4BALDH1A1
SCHEMBL29680538 0.82 LSS (0.32) KDM4EHDAC1PDE4BKMT2AHPGD

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