Oxalic Acid

Oxalic Acid

SCHEMBL6978638

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCc3ccccc3C1)O2.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
SLC6A4 known ✓ P31645 1/20 0.36
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CASP1 P29466 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.38
DRD3 P35462 5/20 0.36
DRD2 P14416 4/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 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
SCHEMBL6984897 0.94 DRD3 (0.38) KDM4EMEN1KMT2AMAPTTAAR1
SCHEMBL6981092 0.89 DRD3 (0.34) MEN1KMT2ATSHRMAPTLMNA
Hydrochloric Acid SCHEMBL6982794 0.88 KMT2A (0.35) MEN1KMT2ATSHRMAPTLMNA
Oxalic Acid SCHEMBL6980644 0.76 GRM5 (0.42) LMNADRD3DRD2HTR1AHTR2A
SCHEMBL6985365 0.76 LMNA (0.42) ALDH1A1LMNAPOLBDRD4
SCHEMBL6983488 0.76 DRD2 (0.41) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL6975992 0.76 TSHR (0.44) KDM4EALDH1A1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL6979044 0.75 LMNA (0.41) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL6980780 0.75 CACNA2D1 (0.43) TSHRGAA
SCHEMBL3936672 0.75 HTR1A (0.46) KDM4EMEN1KMT2AGAAHTR1A

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
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed