Oxalic Acid

Oxalic Acid

SCHEMBL8169336

CSc1ccc2c(c1)C(OCCN1CCCC(C(=O)O)C1)Cc1ccccc1S2.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
ALDH1A1 P00352 2/20 0.52
SLC6A1 P30531 3/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.51
CYP3A4 P08684 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTR7 P34969 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 1/20 0.48
HTR2C P28335 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL7607523 1.00 ALDH1A1 (0.52) ALDH1A1SLC6A1MAPTTP53CYP3A4
SCHEMBL8169332 0.91 ALDH1A1 (0.49) ALDH1A1SLC6A1MAPTTP53CYP3A4
SCHEMBL7605041 0.88 ALDH1A1 (0.65) ALDH1A1SLC6A1MAPTLMNAMEN1
Oxalic Acid SCHEMBL8173610 0.88 ALDH1A1 (0.65) ALDH1A1SLC6A1MAPTLMNAMEN1
Oxalic Acid SCHEMBL8173667 0.86 SLC6A1 (0.52) ALDH1A1SLC6A1LMNA
SCHEMBL7604917 0.85 SLC6A1 (0.53) ALDH1A1SLC6A1LMNA
Oxalic Acid SCHEMBL8161910 0.84 LMNA (0.65) ALDH1A1SLC6A1LMNA
SCHEMBL7604154 0.83 LMNA (0.66) ALDH1A1SLC6A1LMNA
SCHEMBL8173606 0.80 ALDH1A1 (0.60) ALDH1A1SLC6A1MAPTTP53CYP3A4
SCHEMBL8173592 0.80 ALDH1A1 (0.62) ALDH1A1MAPTTP53CYP3A4LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060468-A ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-05-09 US disclosed
EP-0934314-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015550-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed