Oxalic Acid

Oxalic Acid

SCHEMBL6224062

CCCCCCCN1CC[C@H](NC(=O)Nc2ccnc3ccc(OC)nc23)[C@H](C(=O)OCC)C1.O=C(O)C(=O)O

nearest known ligand 0.39

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 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 7/20 0.38
CCR8 P51685 1/20 0.35
KMT2A Q03164 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
Oxalic Acid SCHEMBL7831830 0.91 SLC2A1 (0.39) SLC2A1KCNH2CCR8KMT2A
Oxalic Acid SCHEMBL6222732 0.88 SLC2A1 (0.39) SLC2A1CHRM3KCNH2
Oxalic Acid SCHEMBL6223377 0.86 CCR8 (0.47) SLC2A1CHRM2CHRM4CHRM5CHRM1
Oxalic Acid SCHEMBL6223378 0.86 CCR8 (0.47) SLC2A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6221361 0.85 KCNH2 (0.40) SLC2A1KCNH2CCR8
SCHEMBL6221359 0.80 KCNH2 (0.38) KCNH2
Oxalic Acid SCHEMBL7840279 0.80 CHRM2 (0.38) SLC2A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6220896 0.78 KCNH2 (0.40) KCNH2
SCHEMBL6214270 0.77 KCNH2 (0.51) KCNH2
Oxalic Acid SCHEMBL6215855 0.77 SLC2A1 (0.40) SLC2A1KCNH2CCR8

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-1121355-B1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
US-6602882-B1 Quinoline derivatives and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2003-08-05 US disclosed
EP-1144404-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2001-10-17 EP disclosed
WO-2000043383-A1 PIPERIDINYLQUINOLINES AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2000-07-27 WO disclosed