SCHEMBL9312819

SCHEMBL9312819

C=CC(C)N(C(=O)C1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1)c1cc(C)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
BCHE P06276 8/20 0.40
ACHE P22303 8/20 0.40
TTPA P49638 2/20 0.39
ALOX5 P09917 1/20 0.39
PSEN1 P49768 6/20 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
SCHEMBL9314957 0.90 BCHE (0.50) BCHEACHE
SCHEMBL9314867 0.85 TTPA (0.44) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9313968 0.85 MEN1 (0.44) MEN1KMT2APDE4APDE3ABCHE
SCHEMBL9314965 0.84 BCHE (0.43) MEN1KMT2APDE4APDE3ABCHE
SCHEMBL9268591 0.80 TTPA (0.43) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9655145 0.79 BCHE (0.49) BCHEACHETTPAALOX5
SCHEMBL9250567 0.77 BCHE (0.44) MEN1KMT2APDE4APDE3ABCHE
SCHEMBL9312839 0.76 MEN1 (0.49) MEN1KMT2APDE4APDE3ABCHE
SCHEMBL9653539 0.74 MEN1 (0.40) MEN1KMT2APDE4APDE3ABCHE
SCHEMBL9312768 0.74 BCHE (0.53) BCHEACHE

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-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed