Oxalic Acid

Oxalic Acid

SCHEMBL6970867

CCOC(=O)C1CCN(CC=C2c3ccccc3CSc3ccccc32)CC1.O=C(O)C(=O)O

nearest known ligand 0.52

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
SLC6A4 known ✓ P31645 1/20 0.43
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43

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 SCHEMBL6965830 0.91 KDM4E (0.42) KDM4EALDH1A1KMT2ATSHRSMN1; SMN2
Oxalic Acid SCHEMBL6964376 0.90 ALDH1A1 (0.49) KDM4EALDH1A1KMT2ASMN1; SMN2CYP2D6
Oxalic Acid SCHEMBL6959081 0.90 ALDH1A1 (0.49) KDM4EALDH1A1KMT2ASMN1; SMN2CYP2D6
SCHEMBL6955699 0.88 SIGMAR1 (0.50) KDM4EALDH1A1KMT2ATSHRLMNA
SCHEMBL6963328 0.85 LMNA (0.49) KDM4EALDH1A1LMNASMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL6964854 0.84 LMNA (0.51) KDM4EALDH1A1LMNASMN1; SMN2LTA4H
SCHEMBL6964102 0.84 KDM4E (0.56) KDM4EALDH1A1KMT2ATSHRSMN1; SMN2
Oxalic Acid SCHEMBL6969816 0.82 RAB9A (0.54) KDM4EALDH1A1KMT2ATSHRLTA4H
Oxalic Acid SCHEMBL6959493 0.82 KDM4E (0.51) KDM4EALDH1A1TSHRSMN1; SMN2CYP2D6
SCHEMBL7813214 0.81 ALDH1A1 (0.52) KDM4EALDH1A1LMNASMN1; SMN2CHRM2

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