Oxalic Acid

Oxalic Acid

SCHEMBL11478570

CCC(=O)C1(c2ccccc2Oc2ccccc2)CCN(CC2CCCO2)CC1.O=C(O)C(=O)O

nearest known ligand 0.46

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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 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
RAB9A P51151 1/20 0.38
SLC18A3 Q16572 1/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11471888 0.98 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4ETDP1RAB9A
Oxalic Acid SCHEMBL11486423 0.86 KDM2B (0.43) SIGMAR1SLC18A3
SCHEMBL11470563 0.83 OPRL1 (0.43) SIGMAR1SLC18A3
Oxalic Acid SCHEMBL11490220 0.82 SIGMAR1 (0.46) SIGMAR1ALDH1A1KDM4ETDP1SLC18A3
SCHEMBL11479599 0.80 OPRK1 (0.50) ALDH1A1KDM4ETDP1SLC18A3GAA
SCHEMBL11475284 0.80 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4ESLC18A3SMN1; SMN2
Oxalic Acid SCHEMBL11490223 0.79 SIGMAR1 (0.43) SIGMAR1ALDH1A1KDM4ETDP1SLC18A3
Oxalic Acid SCHEMBL11485566 0.79 OPRM1 (0.46) SIGMAR1ALDH1A1KDM4EADRA1ASLC18A3
SCHEMBL11475291 0.77 SIGMAR1 (0.45) SIGMAR1ALDH1A1KDM4ESLC18A3SMN1; SMN2
SCHEMBL11478119 0.77 OPRM1 (0.48) SIGMAR1ALDH1A1ADRA1ASLC18A3SMN1; SMN2

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