SCHEMBL9029045

SCHEMBL9029045

CC(C)c1c(OCc2ccccc2)cc2c(c1CCCO)OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
MAOB P27338 1/20 0.36
RRM1 P23921 1/20 0.36
KMT2A Q03164 3/20 0.34
GYS1 P13807 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL9028155 0.85 NPC1 (0.38) NPC1RAB9AMAOBKMT2AGYS1
SCHEMBL9029053 0.85 NPC1 (0.39) NPC1RAB9ALTA4HEPHX2MAOB
SCHEMBL9028059 0.84 NPC1 (0.39) NPC1RAB9ALTA4HEPHX2MAOB
SCHEMBL9028068 0.84 MAOB (0.38) NPC1RAB9AMAOBKMT2AGYS1
SCHEMBL9029047 0.81 LTA4H (0.38) NPC1RAB9ALTA4HEPHX2MAOB
SCHEMBL9027704 0.79 HMGCR (0.42)
SCHEMBL9027701 0.79 HMGCR (0.42)
SCHEMBL9028462 0.72 LTA4H (0.40) NPC1RAB9ALTA4HEPHX2MAOB
SCHEMBL9028070 0.71 NPC1 (0.38) NPC1RAB9AMAOBKMT2AMAPT
SCHEMBL30110206 0.70 MAOB (0.44) NPC1RAB9ALTA4HMAOBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed