Oxalic Acid

Oxalic Acid

SCHEMBL8934783

CC(=O)c1cccc(SCCc2c[nH]cn2)c1.CCc1cccc(NCCCc2c[nH]cn2)c1.O=C(O)C(=O)O.O=C(O)C(=O)O

nearest known ligand 0.34

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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
MAPT P10636 4/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 4/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
Oxalic Acid SCHEMBL8934827 0.90 POLB (0.35) ALDH1A1LMNAKMT2ARAB9AHPGD
Oxalic Acid SCHEMBL8934852 0.90 POLB (0.35) ALDH1A1LMNAKMT2ARAB9AHPGD
Oxalic Acid SCHEMBL7991119 0.86 SMN1; SMN2 (0.40) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
Oxalic Acid SCHEMBL7988233 0.84 HRH3 (0.41) ALDH1A1MEN1KMT2ARAB9AHPGD
Oxalic Acid SCHEMBL7977323 0.82 HRH3 (0.43) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL4379745 0.81 HPGD (0.43) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL4379711 0.81 HRH3 (0.43) ALDH1A1LMNAMEN1KMT2ARAB9A
Oxalic Acid SCHEMBL8795914 0.81 MAOB (0.35) MAPTALDH1A1LMNAMEN1HTT
Oxalic Acid SCHEMBL8795918 0.81 MAOB (0.35) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL4391835 0.80 GRM4 (0.37) MAPTRAB9ASMN1; SMN2POLBNPC1

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
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