SCHEMBL9029044

SCHEMBL9029044

CCCc1c(CCC(O)CC(=O)CC(=O)OCC)c2c(c(CCC)c1OCc1ccccc1)CC(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.31
LMNA P02545 2/20 0.31
ADAM17 P78536 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
MAOB P27338 1/20 0.30
CTSS P25774 1/20 0.30
PPID Q08752 1/20 0.30
FFAR1 O14842 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
SCHEMBL9028889 0.94 MMP12 (0.33) MMP12NPC1RAB9AALDH1A1HMGCR
SCHEMBL9028088 0.89 MMP12 (0.34) MMP12NPC1RAB9AALDH1A1HMGCR
SCHEMBL9029035 0.87 MMP12 (0.33) MMP12NPC1RAB9AALDH1A1HMGCR
SCHEMBL9028883 0.86 MMP12 (0.32) MMP12NPC1RAB9AALDH1A1HMGCR
SCHEMBL9028495 0.86 MMP12 (0.32) MMP12NPC1RAB9AALDH1A1HMGCR
SCHEMBL9027939 0.85 HMGCR (0.32) MMP12NPC1RAB9AALDH1A1HMGCR
SCHEMBL9027463 0.85 HMGCR (0.38) MMP12NPC1RAB9AHMGCRLMNA
SCHEMBL9029391 0.83 PPARG (0.34) MMP12HMGCRLMNAL3MBTL1PPARG
SCHEMBL9029056 0.78 LTA4H (0.38) NPC1RAB9ALMNAHTTMAOB
SCHEMBL9027455 0.78 NPC1 (0.37) MMP12NPC1RAB9AHMGCRPPARG

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 2 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