Oxalic Acid

Oxalic Acid

SCHEMBL6984891

NC(=O)N1CCCCC1.O=C(O)C(=O)O

nearest known ligand 0.48

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 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
F2 P00734 1/20 0.46
HPGD P15428 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
DPP7 Q9UHL4 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 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
SCHEMBL28012315 0.92 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL5457 0.92
SCHEMBL2778162 0.92 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL14511334 0.92 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL7749269 0.92 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL23963672 0.92 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL4129583 0.92 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL8364865 0.92 ALDH1A1 (0.55) ALDH1A1F2HPGDMMP1MMP2
SCHEMBL1363949 0.92
Ammonia Solution, Strong SCHEMBL7413294 0.89 ALDH1A1 (0.52) ALDH1A1F2HPGDMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed