Oxalic Acid

Oxalic Acid

SCHEMBL6964376

CCOC(=O)[C@@H]1CCCN(CC=C2c3ccccc3CSc3ccccc32)C1.O=C(O)C(=O)O

nearest known ligand 0.55

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 7/20 0.49
KDM4E B2RXH2 7/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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 SCHEMBL6959081 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
Oxalic Acid SCHEMBL6959493 0.91 KDM4E (0.51) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
Oxalic Acid SCHEMBL6970867 0.90 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2CYP2D6MEN1
SCHEMBL7813214 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL6963106 0.87 SLC6A1 (0.44) ALDH1A1SMN1; SMN2CYP2C19CYP1A2CYP2D6
SCHEMBL6957114 0.87 SLC6A1 (0.44) ALDH1A1SMN1; SMN2CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6958333 0.86 LMNA (0.45) ALDH1A1SMN1; SMN2CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6957875 0.86 LMNA (0.45) ALDH1A1SMN1; SMN2CYP2C19CYP1A2CYP2D6
SCHEMBL8720453 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
Oxalic Acid SCHEMBL8720463 0.83 TBXA2R (0.53) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2

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-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP disclosed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US disclosed
EP-0934313-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015549-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed