Oxalic Acid

Oxalic Acid

SCHEMBL29680387

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

nearest known ligand 0.37

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 0.37
GAA P10253 1/20 0.37
HPGD P15428 2/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4B Q07343 3/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
HDAC1 Q13547 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
TDP2 O95551 1/20 0.32
NUDT1 P36639 1/20 0.32
S1PR2 O95136 2/20 0.32

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 SCHEMBL29680919 0.97 KDM4E (0.35) KDM4EGAAHPGDUSP2CYP1A2
SCHEMBL29680480 0.96 TDP2 (0.32) KDM4EGAAHPGDUSP2CYP1A2
SCHEMBL29680755 0.93 ABL1 (0.33) HPGDUSP2CYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL29680467 0.92 KDM4E (0.36) KDM4EGAAHPGDUSP2CYP1A2
Oxalic Acid SCHEMBL29680606 0.90 KDM4E (0.36) KDM4EGAAHPGDUSP2CYP1A2
Oxalic Acid SCHEMBL29680298 0.87 HDAC1 (0.36) KDM4EGAAHPGDUSP2CYP1A2
SCHEMBL29680525 0.87 ENPP1 (0.32) HDAC1TDP2ENPP1
Oxalic Acid SCHEMBL29680389 0.86 KDM4E (0.37) KDM4EGAAHPGDUSP2CYP1A2
SCHEMBL29680538 0.85 LSS (0.32) KDM4EHPGDUSP2CYP1A2CYP3A4
Oxalic Acid SCHEMBL29680355 0.84 KDM4E (0.41) KDM4EGAAHPGDUSP2CYP1A2

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