Oxalic Acid

Oxalic Acid

SCHEMBL9683845

O.O=C(O)C(=O)O.c1ccc(CN2CCC2COc2ccccc2)cc1

nearest known ligand 0.57

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 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.57
SPHK1 Q9NYA1 4/20 0.49
SPHK2 Q9NRA0 4/20 0.49
HRH3 Q9Y5N1 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
LTA4H P09960 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
SCHEMBL9682997 0.92 FAAH (0.57) FAAHSPHK1SPHK2
SCHEMBL9745126 0.75 FAAH (0.48) FAAHSPHK1SPHK2
SCHEMBL8408488 0.75 GBA1 (0.48) POLB
SCHEMBL22587046 0.75 VEGFA (0.53) FAAH
SCHEMBL9592739 0.75 SIGMAR1 (0.60) LTA4H
SCHEMBL11990400 0.74 GBA1 (0.49)
SCHEMBL1177664 0.74 FAAH (0.48) FAAHSPHK1SPHK2
SCHEMBL4158989 0.74 ABHD6 (0.47) NPC1RAB9A
SCHEMBL7297678 0.74 FAAH (0.60) FAAHSPHK1SPHK2LTA4H
SCHEMBL28829172 0.74 FAAH (0.61) FAAHSPHK1SPHK2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed