SCHEMBL9314965

SCHEMBL9314965

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.43
ACHE P22303 9/20 0.43
TTPA P49638 2/20 0.43
ALOX5 P09917 2/20 0.42
PSEN1 P49768 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL9313968 0.91 MEN1 (0.44) BCHEACHETTPAALOX5PSEN1
SCHEMBL9313796 0.89 BCHE (0.55) BCHEACHE
SCHEMBL9312819 0.84 MEN1 (0.40) BCHEACHETTPAALOX5PSEN1
SCHEMBL9428067 0.84 TTPA (0.46) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9655145 0.81 BCHE (0.49) BCHEACHETTPAALOX5
SCHEMBL9312839 0.80 MEN1 (0.49) BCHEACHETTPAALOX5PSEN1
SCHEMBL9312768 0.80 BCHE (0.53) BCHEACHE
SCHEMBL9250567 0.80 BCHE (0.44) BCHEACHETTPAALOX5PSEN1
SCHEMBL9314914 0.77 PSEN1 (0.52) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9312767 0.77 MEN1 (0.46) BCHEACHETTPAALOX5MEN1

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