Oxalic Acid

Oxalic Acid

SCHEMBL10322320

CC1CCO[C@@H](CCN2CCC(N(Cc3ccc(F)cc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2)O1.O=C(O)C(=O)O

nearest known ligand 0.51

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 4/20 0.46
CCR5 P51681 5/20 0.51
HTR2A P28223 9/20 0.47
TMEM97 Q5BJF2 2/20 0.46

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 SCHEMBL10322317 1.00 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
Oxalic Acid SCHEMBL10322318 1.00 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
SCHEMBL340996 0.98 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
SCHEMBL340995 0.98 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
SCHEMBL340997 0.98 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
Oxalic Acid SCHEMBL5927650 0.94 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
Oxalic Acid SCHEMBL5927636 0.94 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
Oxalic Acid SCHEMBL5927639 0.94 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
SCHEMBL340156 0.92 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97
SCHEMBL340155 0.92 CCR5 (0.51) CCR5HTR2AOPRM1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
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
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed