Oxalic Acid

Oxalic Acid

SCHEMBL8311341

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC1)O2.O=C(O)C(=O)O

nearest known ligand 0.46

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 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.46
KCNH2 Q12809 10/20 0.45
HTR2C P28335 7/20 0.45
DRD2 P14416 4/20 0.45
HDAC1 Q13547 2/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL6981562 0.78 DRD2 (0.43) DRD2
SCHEMBL7811043 0.78 DRD2 (0.43) DRD2
SCHEMBL6981384 0.78 DRD2 (0.43) DRD2
Oxalic Acid SCHEMBL6983587 0.78 KCNH2 (0.37) KCNH2DRD2
Hydrochloric Acid SCHEMBL6986239 0.77 ADRA1D (0.46)
Hydrochloric Acid SCHEMBL7811763 0.77 DRD2 (0.42) DRD2
Bromide SCHEMBL7811677 0.77 DRD2 (0.42) DRD2
Bromide SCHEMBL7811682 0.77 DRD2 (0.42) DRD2
Hydrochloric Acid SCHEMBL6985847 0.77 DRD2 (0.42) DRD2
Hydrochloric Acid SCHEMBL6984757 0.77 DRD2 (0.42) DRD2

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-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed