Oxalic Acid

Oxalic Acid

SCHEMBL11468650

CC(=O)C1(c2ccccc2Oc2ccccc2)CCN(C)CC1.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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 4/20 0.43
SLC6A4 known ✓ P31645 1/20 0.43
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
RECQL P46063 1/20 0.44
OPRK1 P41145 2/20 0.43
SLC22A1 O15245 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRL1 P41146 1/20 0.39
TSPO P30536 1/20 0.39
CHRM5 P08912 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM1 P11229 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL11468367 0.97 SCN1A (0.48) SCN1ASCN2ASCN3ARECQLOPRM1
Oxalic Acid SCHEMBL11485566 0.86 OPRM1 (0.46) SCN1ASCN2ASCN3ARECQLOPRM1
Oxalic Acid SCHEMBL11471026 0.84 SCN1A (0.45) SCN1ASCN2ASCN3ARECQLOPRM1
SCHEMBL11478119 0.84 OPRM1 (0.48) SCN1ASCN2ASCN3ARECQLOPRM1
SCHEMBL11468585 0.84 OPRK1 (0.51) RECQLOPRM1OPRK1OPRD1KCNH2
Oxalic Acid SCHEMBL11470262 0.83 KDM2B (0.44) OPRM1OPRK1SIGMAR1OPRL1
SCHEMBL11470298 0.82 OTUD7B (0.47) SCN1ASCN2ASCN3ARECQLTSPO
SCHEMBL11471019 0.81 SCN1A (0.46) SCN1ASCN2ASCN3ARECQLOPRM1
SCHEMBL11468721 0.81 OPRM1 (0.65) OPRM1OPRK1SLC22A1SLC6A4ADRA1A
SCHEMBL11255002 0.81 OPRM1 (0.45) SCN1ASCN2ASCN3ARECQLOPRM1

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-4198417-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed