Oxalic Acid

Oxalic Acid

SCHEMBL28200792

BrNNc1cc(Br)ccc1Br.O=C(O)C(=O)O

nearest known ligand 0.44

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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
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
BTK Q06187 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
APEX1 P27695 1/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL28856293 0.88 HSP90AA1 (0.44) ALDH1A1KMT2AMEN1LMNACYP1A2
Hydrochloric Acid SCHEMBL28200158 0.86 HSP90AA1 (0.43) ALDH1A1KMT2AMEN1LMNACYP1A2
Sulfuric Acid SCHEMBL28200108 0.85 HSP90AA1 (0.41) ALDH1A1KMT2AMEN1LMNACYP1A2
Phosphoric Acid SCHEMBL28200101 0.85 HSP90AA1 (0.41) ALDH1A1KMT2AMEN1LMNACYP1A2
Oxalic Acid SCHEMBL20984667 0.79 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1LMNACYP1A2
Oxalic Acid SCHEMBL28200133 0.78 GPR35 (0.41) CYP3A4TSHRGPR35TDP1
Oxalic Acid SCHEMBL28200797 0.77 KMT2A (0.50) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL20984668 0.77 GAA (0.50) ALDH1A1KMT2AMEN1LMNACYP1A2
Oxalic Acid SCHEMBL28200201 0.72 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1LMNAGAA
Oxalic Acid SCHEMBL28200725 0.72 MAPT (0.40) ALDH1A1KMT2AMEN1LMNAGAA

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-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed