Oxalic Acid

Oxalic Acid

SCHEMBL29680414

COC(=O)C(N)CCCCNCc1ccc(-c2nc(-c3ccc(CNCCCCC(N)C(=O)OC)cc3)c3ccn(C)c3n2)cc1.O=C(O)C(=O)O

nearest known ligand 0.38

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
DPP7 Q9UHL4 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
TPH1 P17752 4/20 0.34
KDM4E B2RXH2 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
BCHE P06276 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
FOLH1 Q04609 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL29680469 0.97 DPP8 (0.38) DPP7DPP8DPP9TPH1S1PR2
Oxalic Acid SCHEMBL29680599 0.81 TERT (0.40) KDM4ES1PR2S1PR1S1PR3LPAR2
Oxalic Acid SCHEMBL29680295 0.78 AKT1 (0.46) KDM4ES1PR2S1PR1S1PR3LPAR2
SCHEMBL29680699 0.74 LMNA (0.43) S1PR2S1PR1S1PR3LPAR2HRH4
SCHEMBL29680354 0.71 AKT1 (0.48) S1PR2S1PR1S1PR3LPAR2HRH4
Oxalic Acid SCHEMBL29680335 0.71 TERT (0.38) KDM4ES1PR2S1PR1S1PR3LPAR2
Oxalic Acid SCHEMBL29680355 0.70 KDM4E (0.41) KDM4EALDH1A1CYP3A4MEN1KMT2A
Oxalic Acid SCHEMBL29680389 0.69 KDM4E (0.37) KDM4ES1PR2S1PR1S1PR3LPAR2
Hydrochloric Acid SCHEMBL8527393 0.68 DPP8 (0.54) DPP7DPP8DPP9KDM4EALDH1A1
Oxalic Acid SCHEMBL29680418 0.68 ATM (0.42) KDM4EALDH1A1MEN1KMT2AATM

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