Oxalic Acid

Oxalic Acid

SCHEMBL29680212

COc1ccc(-n2ccc3c(-c4ccc(CNCCC(C)N(C)C)cc4)nc(-c4ccc(CNCCC(C)N(C)C)cc4)nc32)cc1.O=C(O)C(=O)O

nearest known ligand 0.39

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
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ATM Q13315 1/20 0.39
PDE4B Q07343 2/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MAPT P10636 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL29680865 0.95 MAPK1 (0.41) ALDH1A1MEN1KMT2APDE4BMAPK1
Oxalic Acid SCHEMBL29680298 0.92 HDAC1 (0.36) ALDH1A1MEN1KMT2APDE4BMAPK1
Oxalic Acid SCHEMBL29680606 0.91 KDM4E (0.36) ALDH1A1MEN1KMT2AATMPDE4B
SCHEMBL29680662 0.87 HDAC1 (0.33) ALDH1A1MEN1KMT2AATMPDE4B
SCHEMBL29680538 0.86 LSS (0.32) ALDH1A1MEN1KMT2APDE4BMAPK1
Oxalic Acid SCHEMBL29680389 0.83 KDM4E (0.37) ALDH1A1MEN1KMT2AATMPDE4B
Oxalic Acid SCHEMBL29680919 0.82 KDM4E (0.35) ALDH1A1MEN1KMT2APDE4BMAPK1
Oxalic Acid SCHEMBL29680387 0.81 KDM4E (0.37) ALDH1A1MEN1KMT2AATMPDE4B
Oxalic Acid SCHEMBL29680335 0.80 TERT (0.38) ALDH1A1MEN1KMT2AATMPDE4B
SCHEMBL29680879 0.78 TDP2 (0.32) ALDH1A1PDE4BMAPK1KDM4EGAA

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