Oxalic Acid

Oxalic Acid

SCHEMBL7245307

C(=C/c1ccccc1)\CN1CCC(CCOc2ccc3oc4ccccc4c3c2)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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.46
MCHR1 Q99705 4/20 0.49
S1PR1 P21453 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
LMNA P02545 4/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 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 SCHEMBL7245310 1.00 MCHR1 (0.49) MCHR1S1PR1HRH3LMNASLC6A4
SCHEMBL7333002 0.95 MCHR1 (0.51) MCHR1S1PR1HRH3LMNASLC6A4
Oxalic Acid SCHEMBL7320960 0.82 S1PR1 (0.51) MCHR1S1PR1HRH3LMNASLC6A4
Oxalic Acid SCHEMBL7320957 0.82 S1PR1 (0.51) MCHR1S1PR1HRH3LMNASLC6A4
Oxalic Acid SCHEMBL7331911 0.81 S1PR1 (0.49) MCHR1S1PR1HRH3LMNASIGMAR1
Oxalic Acid SCHEMBL7327873 0.81 SLC6A4 (0.65) S1PR1HRH3LMNASLC6A4SLC6A3
Oxalic Acid SCHEMBL7327867 0.81 SLC6A4 (0.65) S1PR1HRH3LMNASLC6A4SLC6A3
SCHEMBL7325847 0.77 SLC6A4 (0.53) S1PR1HRH3LMNASLC6A4SLC6A3
SCHEMBL7325843 0.77 SLC6A4 (0.53) S1PR1HRH3LMNASLC6A4SLC6A3
SCHEMBL7326600 0.75 SLC6A4 (0.71) S1PR1HRH3LMNASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534525-B1 Method of using 2- substituted piperidine analogs as selectively active antagonist of N-methyl-D-aspartate (NMDA) receptor subtypes for treating conditions such as stroke, cerebral ischemia, central nervous system trauma, WARNER-LAMBERT & COMPANY 2003-03-18 US disclosed
US-6124317-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP disclosed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed