Oxalic Acid

Oxalic Acid

SCHEMBL28273676

O=C(O)C(=O)Cc1ccccc1[N+](=O)[O-].O=C(O)C(=O)O

nearest known ligand 0.56

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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
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.55
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL9690178 0.98 ALDH1A1 (0.58) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL258555 0.98 ALDH1A1 (0.58) ALDH1A1L3MBTL1TSHRKMT2AMEN1
Oxalic Acid SCHEMBL9180724 0.89 CYP1A2 (0.58) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL74692 0.85 CYP1A2 (0.62) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL1628292 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1TSHRKMT2AMEN1
Ethyl Acetate SCHEMBL28856852 0.84 KMT2A (0.50) ALDH1A1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL27861233 0.84 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL28223983 0.84 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL2530464 0.84 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL28157714 0.84 CYP1A2 (0.60) ALDH1A1L3MBTL1TSHRKMT2AMEN1

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
CN-105732473-B A kind of preparation method of new catalytic synthesis of indole -2- formic acid 杭州师范大学 2019-02-01 CN claimed