Oxalic Acid

Oxalic Acid

SCHEMBL6773522

CCN(CC)CCOCCc1cccc2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.72

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
SLC6A4 known ✓ P31645 1/20 0.45
OPRM1 known ✓ P35372 1/20 0.45
KDM4E B2RXH2 6/20 0.72
CDYL Q9Y232 1/20 0.66
HTR2A P28223 10/20 0.50
CYP3A4 P08684 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 2/20 0.46
CHRM2 P08172 2/20 0.46
CYP2D6 P10635 2/20 0.46
CHRM1 P11229 2/20 0.46
SLC22A1 O15245 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
PRCP P42785 1/20 0.46
HTT P42858 1/20 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
SCHEMBL3813478 0.92 CDYL (0.64) KDM4ECDYLHTR2ACYP3A4MEN1
Oxalic Acid SCHEMBL3811985 0.81 KDM4E (0.49) KDM4ECDYLCYP3A4ALDH1A1TDP1
Oxalic Acid SCHEMBL3810442 0.81 KDM4E (0.49) KDM4ECDYLHTR2ACYP3A4MEN1
SCHEMBL1180012 0.79 ADRB2 (0.58) KDM4ECDYLHTR2ACYP3A4MEN1
SCHEMBL1180543 0.78 ADRB2 (0.59) KDM4ECDYLHTR2ACYP3A4MEN1
SCHEMBL3807751 0.78 HTR1B (0.55) KDM4ECDYLHTR2AMEN1KMT2A
SCHEMBL7808904 0.77 CDYL (0.63) KDM4ECDYLHTR2ACYP3A4MEN1
SCHEMBL8721975 0.77 CDYL (0.61) KDM4ECDYLHTR2ACYP1A2CYP2D6
Oxalic Acid SCHEMBL3807723 0.77 KDM4E (0.49) KDM4ECYP3A4ALDH1A1TDP1CYP1A2
SCHEMBL586305 0.77 CYP1A2 (0.52) CDYLTDP1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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