SCHEMBL9028660

SCHEMBL9028660

CC(C)c1c(CCC=O)c2c(c(C(C)C)c1OCc1ccccc1)CC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GLRA1 P23415 2/20 0.33
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
GAA P10253 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL9028211 0.92 MAOB (0.35) MAOBNPC1RAB9AGLRA1LMNA
SCHEMBL9028797 0.92 MAOB (0.35) MAOBNPC1RAB9AGLRA1LMNA
SCHEMBL9029047 0.85 LTA4H (0.38) MAOBNPC1RAB9AGLRA1LMNA
SCHEMBL9028097 0.85 MAOB (0.36) MAOBNPC1RAB9AGLRA1LMNA
SCHEMBL9029119 0.82 MAOB (0.38) MAOBNPC1RAB9ALMNAALDH1A1
SCHEMBL9028155 0.81 NPC1 (0.38) MAOBNPC1RAB9AMAPK1HTT
SCHEMBL9028667 0.81 MAOB (0.37) MAOBNPC1RAB9ALMNAOPRM1
SCHEMBL9028395 0.80 MAOB (0.38) MAOBNPC1RAB9AGLRA1LMNA
SCHEMBL9026986 0.79 MAOB (0.36) MAOBNPC1RAB9ALMNAALDH1A1
SCHEMBL9028802 0.79 MAOB (0.36) MAOBNPC1RAB9ALMNAALDH1A1

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