Oxalic Acid

Oxalic Acid

SCHEMBL7977323

CC(=O)c1cccc(SCCCc2c[nH]cn2)c1.O=C(O)C(=O)O

nearest known ligand 0.43

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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 3/20 0.43
APEX1 P27695 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRK6 P43250 1/20 0.34
RAB9A P51151 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
KIF11 P52732 1/20 0.33
LTB4R Q15722 1/20 0.33
MEN1 O00255 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
SCHEMBL4386828 0.97 HRH3 (0.46) HRH3APEX1ALDH1A1POLBKMT2A
Oxalic Acid SCHEMBL7988233 0.93 HRH3 (0.41) HRH3APEX1ALDH1A1POLBKMT2A
SCHEMBL4379711 0.90 HRH3 (0.43) HRH3APEX1ALDH1A1KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL8934783 0.82 MAPT (0.34) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
Oxalic Acid SCHEMBL4378004 0.81 MAOB (0.47) HRH3ALDH1A1KMT2ARAB9AMAOB
SCHEMBL4379687 0.78 KMT2A (0.50) HRH3ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL4543312 0.77 KMT2A (0.49) HRH3ALDH1A1KMT2AMAOBMEN1
SCHEMBL7991004 0.75 HRH3 (0.42) HRH3APEX1ALDH1A1POLBKMT2A
Oxalic Acid SCHEMBL7994745 0.74 GAA (0.46) HRH3ALDH1A1KDM4EPOLBKMT2A
SCHEMBL4379745 0.74 HPGD (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9ALMNA

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 3 patents. 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 claimed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed