Oxalic Acid

Oxalic Acid

SCHEMBL1573558

O=C(O)C(=O)O.OCC(CNC(c1ccccc1)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.46

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
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A9 P48067 7/20 0.45
SLC6A5 Q9Y345 5/20 0.45
CNR1 P21554 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 0.42
P2RX7 Q99572 1/20 0.41
GABBR2 O75899 3/20 0.41
GABBR1 Q9UBS5 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
Oxalic Acid SCHEMBL1573635 0.91 MTOR (0.47) MEN1KMT2ATDP1GABBR2GABBR1
SCHEMBL1573478 0.84 MTOR (0.54) MEN1KMT2ATDP1GABBR2GABBR1
Iodomethane SCHEMBL1573608 0.80 MTOR (0.48) MEN1KMT2ATDP1LMNACYP3A4
Perchlorate SCHEMBL1573231 0.79 MTOR (0.47) MEN1KMT2ATDP1LMNACYP3A4
Hydrochloric Acid SCHEMBL1573359 0.78 LMNA (0.46) MEN1KMT2ASLC6A9CNR1TDP1
SCHEMBL9853045 0.75 MEN1 (0.56) MEN1KMT2ASLC6A9SLC6A5CNR1
Benzoic Acid SCHEMBL27522254 0.72 TSHR (0.53) MEN1KMT2ASLC6A9SLC6A5GABBR2
SCHEMBL1780965 0.72 AKT1 (0.47) CNR1TDP1LMNA
SCHEMBL4227305 0.70 MTOR (0.58) MEN1KMT2ASLC6A9SLC6A5CNR1
SCHEMBL1155162 0.70 GABBR2 (0.48) MEN1KMT2ATDP1GABBR2GABBR1

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
EP-1888064-B1 BENZTROPINAMINE ANALOGS AS DOPAMINE UPTAKE INHIBITORS US GOV HEALTH & HUMAN SERV (US) 2011-04-13 EP disclosed