Oxalic Acid

Oxalic Acid

SCHEMBL7988233

CC(=O)c1cccc(SCCc2c[nH]cn2)c1.O=C(O)C(=O)O

nearest known ligand 0.41

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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 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
APEX1 P27695 1/20 0.37
GRK6 P43250 1/20 0.35
MAOB P27338 1/20 0.34
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RET P07949 1/20 0.32
KDR P35968 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
SCHEMBL4379711 0.96 HRH3 (0.43) HRH3APEX1GRK6MAOBKIF11
SCHEMBL4386828 0.89 HRH3 (0.46) HRH3APEX1GRK6ALDH1A1HPGD
Oxalic Acid SCHEMBL8934783 0.84 MAPT (0.34) ALDH1A1HPGDPOLBRAB9AKMT2A
Oxalic Acid SCHEMBL7994745 0.81 GAA (0.46) HRH3GRK6ALDH1A1POLBKMT2A
Oxalic Acid SCHEMBL4378004 0.78 MAOB (0.47) HRH3MAOBALDH1A1RAB9AKMT2A
SCHEMBL13636333 0.77 ALDH1A1 (0.47) MAOBALDH1A1RAB9AKMT2AMEN1
SCHEMBL11725367 0.76 HDAC1 (0.52) APEX1MAOBALDH1A1HPGDRAB9A
SCHEMBL4379687 0.75 KMT2A (0.50) HRH3MAOBALDH1A1RAB9AKMT2A
SCHEMBL4543312 0.74 KMT2A (0.49) HRH3MAOBALDH1A1KMT2AMEN1
SCHEMBL7988235 0.74 HRH3 (0.40) HRH3APEX1GRK6ALDH1A1HPGD

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed