Oxalic Acid

Oxalic Acid

SCHEMBL3816149

CCN(CC)CCOCCc1ccc2ccsc2c1.O=C(O)C(=O)O

nearest known ligand 0.41

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
OPRM1 known ✓ P35372 1/20 0.36
KDM4E B2RXH2 4/20 0.40
SIGMAR1 Q99720 3/20 0.40
CHRM2 P08172 3/20 0.38
LMNA P02545 3/20 0.38
CHRM1 P11229 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC22A1 O15245 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
PRCP P42785 1/20 0.38
HTT P42858 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BIRC5 O15392 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL3807722 0.93 BIRC5 (0.42) KDM4ESIGMAR1CHRM2LMNACHRM1
Oxalic Acid SCHEMBL3812446 0.84 SIGMAR1 (0.46) KDM4ESIGMAR1CHRM2LMNACHRM1
Oxalic Acid SCHEMBL3817540 0.84 SIGMAR1 (0.52) KDM4ESIGMAR1BIRC5OPRM1OPRK1
Oxalic Acid SCHEMBL3812890 0.83 SIGMAR1 (0.48) SIGMAR1
SCHEMBL3807907 0.83 SIGMAR1 (0.51) KDM4ESIGMAR1CYP1A2CYP2D6HTT
Oxalic Acid SCHEMBL3808260 0.81 STING1 (0.39) KDM4ESIGMAR1CHRM2LMNACHRM1
Oxalic Acid SCHEMBL3808502 0.81 KDM4E (0.38) KDM4ESIGMAR1CHRM2LMNACHRM1
Oxalic Acid SCHEMBL3807723 0.81 KDM4E (0.49) KDM4ESIGMAR1CHRM2LMNACHRM1
Oxalic Acid SCHEMBL3813198 0.81 SIGMAR1 (0.48) KDM4ESIGMAR1MRGPRX4OPRM1OPRK1
SCHEMBL3808077 0.79 ALDH1A1 (0.39) SIGMAR1ALDH1A1TSHRMRGPRX4OPRM1

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
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed