Oxalic Acid

Oxalic Acid

SCHEMBL6965830

CCOC(=O)C1CCN(CC=C2c3ccccc3CSc3ccc(Cl)cc32)CC1.O=C(O)C(=O)O

nearest known ligand 0.46

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 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CCR8 P51685 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41

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 SCHEMBL6959493 0.91 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2TSHRTDP1
Oxalic Acid SCHEMBL6970867 0.91 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2CCR8TSHR
SCHEMBL6970479 0.87 HRH1 (0.41) KDM4EALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6964105 0.86 LMNA (0.41) ALDH1A1SMN1; SMN2KMT2AHTT
Oxalic Acid SCHEMBL6959081 0.81 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2KMT2ATDP1
Oxalic Acid SCHEMBL6964376 0.81 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL6960640 0.80 TBXA2R (0.42)
Hydrochloric Acid SCHEMBL6962970 0.80
SCHEMBL6955699 0.79 SIGMAR1 (0.50) KDM4EALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL6964102 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2CCR8HSD17B10

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