Oxalic Acid

Oxalic Acid

SCHEMBL7728019

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccccc4)C[C@@H]3CO)c2c1.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 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.52
KCNH2 Q12809 7/20 0.49
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
SLC2A1 P11166 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
SCHEMBL7466144 0.97 CCR8 (0.53) CCR8KCNH2GRIN1GRIN2B
SCHEMBL7560175 0.97 CCR8 (0.53) CCR8KCNH2GRIN1GRIN2B
SCHEMBL7725846 0.92 CCR8 (0.53) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7724893 0.91 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7724897 0.91 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7728026 0.90 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7462927 0.90 CCR8 (0.54) CCR8KCNH2
SCHEMBL7724509 0.89 CCR8 (0.51) CCR8KCNH2GRIN1GRIN2BMTNR1A
SCHEMBL7455480 0.89 CCR8 (0.53) CCR8KCNH2
SCHEMBL7725336 0.89 CCR8 (0.50) CCR8KCNH2GRIN1GRIN2BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed