SCHEMBL8349809

SCHEMBL8349809

O=C(Cc1cccc(O)c1)Nc1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.58
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
SELP P16109 1/20 0.55
SELE P16581 1/20 0.55
ANO1 Q5XXA6 1/20 0.53
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
ALOX15 P16050 1/20 0.50

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
SCHEMBL108018 0.85 BCHE (0.63) NLRP3BCHEACHESELPSELE
SCHEMBL4423340 0.83 EPHX2 (0.71) NLRP3SELPSELE
SCHEMBL5106834 0.82 NLRP3 (0.62) NLRP3
SCHEMBL5102413 0.82 GAA (0.66) NLRP3
SCHEMBL5114611 0.82 NLRP3 (0.74) NLRP3
SCHEMBL5102596 0.81 MEN1 (0.64) NLRP3SELPSELE
SCHEMBL4423342 0.80 NLRP3 (0.75) NLRP3
SCHEMBL19427518 0.80 BCHE (0.64) NLRP3BCHEACHESELPSELE
SCHEMBL29520161 0.80 NLRP3 (0.75) NLRP3
SCHEMBL13984317 0.79 ERCC1 (0.60) ERCC1ERCC4

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
WO-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO disclosed