Oxalic Acid

Oxalic Acid

SCHEMBL28296547

O=C(O)C(=O)O.O=Cc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1.O=Cc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1

nearest known ligand 0.51

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
ERN1 O75460 1/20 0.51
CES2 O00748 2/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.47
CES1 P23141 1/20 0.46
TP53 P04637 1/20 0.45
CYP19A1 P11511 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK14 Q16539 1/20 0.44
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL9385469 0.86 LMNA (0.56) ERN1CES2LMNAHTTMAPT
SCHEMBL22163989 0.81 ERN1 (0.62) ERN1CES2HTTMAPTSMN1; SMN2
SCHEMBL28122682 0.79 FNTA (0.47) CES2LMNAHTTMAPTPOLB
SCHEMBL11230405 0.78 CES2 (0.75) CES2LMNAHTTMAPTPOLB
SCHEMBL29355334 0.78 CES2 (0.75) CES2LMNAHTTMAPTPOLB
SCHEMBL27497022 0.78 GAA (0.60) CES2LMNAHTTMAPTPOLB
SCHEMBL5313439 0.78 MAPT (0.60) CES2LMNAHTTMAPTPOLB
SCHEMBL11010668 0.78 LMNA (0.60) CES2LMNAHTTMAPTPOLB
SCHEMBL28113932 0.77 MAPT (0.50) CES2LMNAHTTMAPTPOLB
SCHEMBL2923533 0.77 ALDH1A1 (0.69) CES2LMNAHTTMAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705851-A A kind of organic matter makees the light emitting composition of filler 何晓华 2019-05-03 CN claimed
CN-109705851-A A kind of organic matter makees the light emitting composition of filler 何晓华 2019-05-03 CN disclosed