Oxalic Acid

Oxalic Acid

SCHEMBL29680919

CCC(CCNCc1ccc(-c2nc(-c3ccccc3)c3ccn(-c4ccc(CNCCC(CC)N(C)C)cc4)c3n2)cc1)N(C)C.O=C(O)C(=O)O

nearest known ligand 0.35

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 1/20 0.35
GAA P10253 1/20 0.35
PDE4B Q07343 2/20 0.34
HDAC1 Q13547 4/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
CDK1 P06493 1/20 0.32
SRC P12931 1/20 0.32
CSK P41240 1/20 0.32
ABL2 P42684 1/20 0.32
MEN1 O00255 1/20 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 SCHEMBL29680387 0.97 KDM4E (0.37) KDM4EGAAPDE4BHDAC1HPGD
SCHEMBL29680755 0.96 ABL1 (0.33) PDE4BHDAC1HPGDLMNAUSP2
SCHEMBL29680480 0.93 TDP2 (0.32) KDM4EGAAPDE4BHPGDLMNA
Oxalic Acid SCHEMBL29680298 0.90 HDAC1 (0.36) KDM4EGAAPDE4BHDAC1HPGD
Oxalic Acid SCHEMBL29680467 0.89 KDM4E (0.36) KDM4EGAAPDE4BHDAC1HPGD
Oxalic Acid SCHEMBL29680606 0.87 KDM4E (0.36) KDM4EGAAPDE4BHDAC1HPGD
SCHEMBL29680662 0.85 HDAC1 (0.33) PDE4BHDAC1HPGDLMNAUSP2
SCHEMBL29680525 0.84 ENPP1 (0.32) HDAC1
Oxalic Acid SCHEMBL29680389 0.84 KDM4E (0.37) KDM4EGAAPDE4BHDAC1HPGD
Oxalic Acid SCHEMBL29680418 0.84 ATM (0.42) KDM4EGAAHDAC1KMT2AABL1

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