Oxalic Acid

Oxalic Acid

SCHEMBL7990904

FC(F)(F)c1cccc(NCCCc2c[nH]cn2)c1.O=C(O)C(=O)O

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
CTSC P53634 1/20 0.42
SYK P43405 2/20 0.41
CTSK P43235 1/20 0.41
GMNN O75496 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 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
SCHEMBL4380977 0.93 CTSC (0.43) RXFP1MAPTLMNAL3MBTL1CTSC
Oxalic Acid SCHEMBL7991119 0.82 SMN1; SMN2 (0.40) MAPTALDH1A1HPGDL3MBTL1RAB9A
Oxalic Acid SCHEMBL7990786 0.81 KDM4E (0.52) KMT2AHTTALDH1A1LMNAL3MBTL1
SCHEMBL7971497 0.81 MAPT (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL4379745 0.78 HPGD (0.43) MEN1KMT2AMAPTHTTALDH1A1
Oxalic Acid SCHEMBL7994745 0.76 GAA (0.46) MEN1KMT2AMAPTHTTALDH1A1
Oxalic Acid SCHEMBL7987751 0.76 CHRM1 (0.39) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL31060288 0.75 HRH3 (0.58) RXFP1MAPTHTTLMNACYP1A2
SCHEMBL7990907 0.75 CTSK (0.43) RXFP1MEN1KMT2AMAPTHTT
Oxalic Acid SCHEMBL7991460 0.74 TP53 (0.37) MEN1KMT2AMAPTALDH1A1LMNA

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
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP 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