Oxalic Acid

Oxalic Acid

SCHEMBL7418326

COc1cc2c(cc1C)CCNC2C1(c2ccsc2)CC1.O=C(O)C(=O)O

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 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
MAOA P21397 4/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A9 P48067 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL7417327 0.94 PKM (0.46) PKMKMT2AMEN1MAOATSHR
SCHEMBL8549915 0.76 PKM (0.46) PKMKMT2AMEN1MAOATSHR
SCHEMBL7411687 0.73 MAOA (0.40) KMT2AMEN1MAOAALDH1A1CYP2D6
SCHEMBL7419953 0.72 PKM (0.46) PKMKMT2AMEN1MAOATSHR
SCHEMBL8747129 0.72 PKM (0.46) PKMKMT2AMEN1MAOATSHR
SCHEMBL7423986 0.71 PKM (0.45) PKMKMT2AMEN1MAOATSHR
SCHEMBL12192723 0.70 MAOA (0.50) PKMKMT2AMEN1MAOATSHR
SCHEMBL8747203 0.68 PKM (0.47) PKMKMT2AMEN1MAOATSHR
SCHEMBL8550402 0.68 KCNA3 (0.34) KMT2AMEN1MAOALMNABCHE
SCHEMBL7418327 0.67 KCNA3 (0.33) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807868-A ANALGESICS; PSYCHOLOGICAL DISORDES; PARKINSON*S DIESASE;COGNITION ACTIVATORS; DRUG DEPENDENCE; DYSKINESIA KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5804586-A ANALGESICS, PSYCHOLOGICAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed
EP-0707570-B1 ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1998-05-06 EP disclosed
EP-0707570-A1 ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-24 EP disclosed
WO-1995000489-A1 ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed