Oxalic Acid

Oxalic Acid

SCHEMBL11297048

O=C(O)C(=O)O.OC(CN1CCCC1)C1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.43

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
RAD52 P43351 1/20 0.43
MAOB P27338 1/20 0.40
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 8/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
PLK1 P53350 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
PAX8 Q06710 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
SCHEMBL11297617 0.94 MAOB (0.42) MAOBALDH1A1KDM4EKMT2AMEN1
SCHEMBL11287307 0.93 MAOB (0.44) MAOBALDH1A1KDM4EKMT2AMEN1
SCHEMBL11297051 0.82 POLB (0.39) RAD52ALDH1A1KDM4EKMT2AMEN1
SCHEMBL11289721 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMAPK1GAA
SCHEMBL11295572 0.75 LMNA (0.37) KMT2ALMNA
SCHEMBL11290081 0.75 IDO1 (0.32)
SCHEMBL11289410 0.75
SCHEMBL11294673 0.74 SLC6A4 (0.34)
Acetic Acid SCHEMBL11295494 0.74 MTNR1A (0.36) KMT2ASMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL11290458 0.72 APOBEC3A (0.39)

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-0000825-B1 GEMINALLY DISUBSTITUTED INDENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Kabi AB (SE) 1982-04-14 EP disclosed