Oxalic Acid

Oxalic Acid

SCHEMBL28207256

O=C(O)C(=O)O.O=COCc1ccccc1

nearest known ligand 0.53

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
ALDH1A1 P00352 5/20 0.53
HCAR2 Q8TDS4 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL503 0.91 TSHR (0.52) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
Benzene SCHEMBL25178056 0.91 TSHR (0.52) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL901056 0.91 TSHR (0.52) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
Carbamic Acid SCHEMBL28101020 0.90 SLC1A3 (0.47) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
Hydroxyamine SCHEMBL27588656 0.89 ALDH1A1 (0.48) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL4378719 0.89 TSHR (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
Water SCHEMBL28793674 0.89 TSHR (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL28997098 0.89 TSHR (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL4515729 0.89 TSHR (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL28208369 0.89 TSHR (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1

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-107870206-A A kind of method for detecting AVM hereinafter Batan sodium key intermediate chiral isomer 海口南陆医药科技股份有限公司 2018-04-03 CN disclosed
CN-107870206-A A kind of method for detecting AVM hereinafter Batan sodium key intermediate chiral isomer 海口南陆医药科技股份有限公司 2018-04-03 CN disclosed