SCHEMBL9028155

SCHEMBL9028155

CC(C)c1c(OCc2ccccc2)cc2c(c1CCC=O)OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
GYS1 P13807 1/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL9029045 0.85 NPC1 (0.39) NPC1RAB9AMAOBKMT2AMAPT
SCHEMBL9028160 0.85 NPC1 (0.39) NPC1RAB9AMAOBL3MBTL1KMT2A
SCHEMBL9028068 0.85 MAOB (0.38) NPC1RAB9AMAOBL3MBTL1KMT2A
SCHEMBL9028672 0.84 NPC1 (0.38) NPC1RAB9AMAOBL3MBTL1KMT2A
SCHEMBL9028660 0.81 MAOB (0.36) NPC1RAB9AMAOBADRB2ADRB1
SCHEMBL9028211 0.80 MAOB (0.35) NPC1RAB9AMAOBADRB2ADRB1
SCHEMBL9027704 0.78 HMGCR (0.42)
SCHEMBL9027701 0.78 HMGCR (0.42)
SCHEMBL9028797 0.78 MAOB (0.35) NPC1RAB9AMAOBADRB2ADRB1
SCHEMBL9027455 0.76 NPC1 (0.37) NPC1RAB9AKMT2AMAPTMEN1

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