SCHEMBL9314002

SCHEMBL9314002

CCCCN(CC1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1)c1cc(C)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
PSEN1 P49768 8/20 0.40
TTPA P49638 3/20 0.40
ALOX5 P09917 2/20 0.40
GSTO1 P78417 2/20 0.37
PTPN1 P18031 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
SCHEMBL9428173 0.92 MEN1 (0.47) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9312785 0.88 MEN1 (0.54) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9314073 0.87 MEN1 (0.45) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9314031 0.86 USP2 (0.42) MEN1KMT2ATTPAALOX5
SCHEMBL9314076 0.84 MEN1 (0.44) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9312783 0.84 PSEN1 (0.46) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9313634 0.82 MEN1 (0.50) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9314095 0.81 PSEN1 (0.49) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9427821 0.80 AKT1 (0.33) MEN1KMT2APDE4APDE3APSEN1
SCHEMBL9257195 0.79 PSEN1 (0.47) MEN1KMT2APDE4APDE3APSEN1

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