SCHEMBL9313892

SCHEMBL9313892

CCOC(=O)COc1c(C)c(C)c2c(c1C)CCC(C)(CNc1cc(C)cc(C)n1)O2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE4A P27815 1/20 0.35
PDE3A Q14432 1/20 0.35
SYK P43405 1/20 0.35
KCNH2 Q12809 1/20 0.35
GSTO1 P78417 2/20 0.34
PTPN1 P18031 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9313669 0.91 PSEN1 (0.43) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9312778 0.90 PSEN1 (0.51) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9313487 0.88 PSEN1 (0.40) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9314118 0.85 PSEN1 (0.39) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9428314 0.84 MEN1 (0.49) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9313766 0.84 PSEN1 (0.45) PSEN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9656054 0.83 PSEN1 (0.35) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9427843 0.83 AKT1 (0.35) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9254582 0.83 PSEN1 (0.44) PSEN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9313801 0.81 PSEN1 (0.54) PSEN1MEN1KMT2APDE4APDE3A

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