Oxalic Acid

Oxalic Acid

SCHEMBL10322384

CCCOc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCCN3C(=O)OCC3C(C)C)CC2)cc1.O=C(O)C(=O)O

nearest known ligand 0.49

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 4)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 3/20 0.45
HTR2A P28223 13/20 0.49
TMEM97 Q5BJF2 2/20 0.45
CCR5 P51681 3/20 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
Oxalic Acid SCHEMBL10322386 1.00 HTR2A (0.49) HTR2AOPRM1TMEM97CCR5
SCHEMBL341781 0.98 HTR2A (0.51) HTR2AOPRM1TMEM97CCR5
SCHEMBL341780 0.98 HTR2A (0.51) HTR2AOPRM1TMEM97CCR5
Oxalic Acid SCHEMBL5440095 0.93 HTR2A (0.45) HTR2AOPRM1TMEM97CCR5
Oxalic Acid SCHEMBL5440089 0.93 HTR2A (0.45) HTR2AOPRM1TMEM97CCR5
Oxalic Acid SCHEMBL10321673 0.92 HTR2A (0.54) HTR2AOPRM1
Oxalic Acid SCHEMBL10322999 0.92 HTR2A (0.54) HTR2AOPRM1
Oxalic Acid SCHEMBL10321675 0.92 HTR2A (0.54) HTR2AOPRM1
SCHEMBL340767 0.91 HTR2A (0.47) HTR2AOPRM1TMEM97CCR5
SCHEMBL340766 0.91 HTR2A (0.47) HTR2AOPRM1TMEM97CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed