SCHEMBL9028495

SCHEMBL9028495

CCOC(=O)CC(=O)CC(O)CCc1c2c(c(C)c(OCc3ccccc3)c1C(C)(C)C)CC(C)(C)O2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
PPID Q08752 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CTSS P25774 1/20 0.31
TSHR P16473 1/20 0.31
HMGCR P04035 1/20 0.31
ADAM17 P78536 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL9027939 0.95 HMGCR (0.32) MMP12NPC1RAB9APPIDALDH1A1
SCHEMBL9028088 0.92 MMP12 (0.34) MMP12NPC1RAB9APPARGPPARD
SCHEMBL9028889 0.90 MMP12 (0.33) MMP12NPC1RAB9APPARGPPARD
SCHEMBL9028883 0.89 MMP12 (0.32) MMP12NPC1RAB9APPARGPPARD
SCHEMBL9029044 0.86 MMP12 (0.33) MMP12NPC1RAB9APPARGPPARD
SCHEMBL9027431 0.85 NPC1 (0.36) MMP12NPC1RAB9APPARGPPARD
SCHEMBL9029035 0.85 MMP12 (0.33) MMP12NPC1RAB9APPARGPPARD
SCHEMBL9029391 0.85 PPARG (0.34) MMP12PPARGPPARDPPARAPPID
SCHEMBL9571405 0.80 TP53 (0.32) NPC1RAB9APPIDALDH1A1
SCHEMBL9028241 0.79 PSEN1 (0.32)

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