Oxalic Acid

Oxalic Acid

SCHEMBL6490740

CN1C2C=C(c3cc4sccc4s3)CC1CC2.O=C(O)C(=O)O

nearest known ligand 0.44

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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 5/20 0.44
OPRM1 known ✓ P35372 2/20 0.34
SLC6A2 P23975 5/20 0.44
SLC6A3 Q01959 5/20 0.44
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
GPR35 Q9HC97 1/20 0.36
HTR6 P50406 1/20 0.36
OPRD1 P41143 2/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL6500944 0.93 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3NOS3NOS1
Cadaverine Tartrate SCHEMBL3542909 0.76 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3HTR6OPRM1
SCHEMBL6492685 0.75 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL3062717 0.73 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3NOS3NOS1
Hydrochloric Acid SCHEMBL6498978 0.72 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL6490803 0.71 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL8108438 0.71 HTR6 (0.50) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL5829818 0.70 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL5829151 0.70 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL2419033 0.69 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HTR6HDAC6

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-6964972-B2 8-Azabicyclo(3,2,1)oct-2 ene and octane derivatives as cholinergic ligands at nicotinic ACh receptors NEUROSEARCH A/S (DK) 2005-11-15 US disclosed