Oxalic Acid

Oxalic Acid

SCHEMBL3811985

CCN(CC)CCOCCc1cccc2sccc12.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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 2/20 0.38
KDM4E B2RXH2 4/20 0.49
CDYL Q9Y232 1/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CHRM2 P08172 3/20 0.40
CHRM1 P11229 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
SLC22A1 O15245 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
PRCP P42785 1/20 0.40
HTT P42858 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL3809768 0.93 CYP19A1 (0.43) KDM4ECDYLLMNAALDH1A1CHRM2
Oxalic Acid SCHEMBL3810442 0.81 KDM4E (0.49) KDM4ECDYLLMNAALDH1A1CHRM2
Oxalic Acid SCHEMBL6773522 0.81 KDM4E (0.72) KDM4ECDYLLMNAALDH1A1CHRM2
SCHEMBL3817882 0.80 OPRM1 (0.45) CYP19A1TBXAS1OPRM1OPRK1
Hydrochloric Acid SCHEMBL3815960 0.79 OPRM1 (0.46) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL3812607 0.79 OPRM1 (0.41) ALDH1A1TSHRCYP19A1TBXAS1OPRM1
SCHEMBL48683 0.77 POLB (0.46) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL3813019 0.77 ALDH1A1 (0.45) KDM4ELMNAALDH1A1CYP19A1TBXAS1
Oxalic Acid SCHEMBL3808260 0.76 STING1 (0.39) KDM4ELMNAALDH1A1CHRM2CHRM1
Oxalic Acid SCHEMBL3808502 0.76 KDM4E (0.38) KDM4ECDYLLMNAALDH1A1CHRM2

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