SCHEMBL9849103

SCHEMBL9849103

Cc1c2c(c(C3CC(O)CC(=O)O3)c(C)c1OCc1ccccc1)OC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.34
CCR5 P51681 1/20 0.34
HPD P32754 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAOB P27338 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 2/20 0.32
CASP3 P42574 2/20 0.32
CASP7 P55210 2/20 0.32
CASP6 P55212 2/20 0.32
CASP8 Q14790 2/20 0.32
NFE2L2 Q16236 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
SCHEMBL9722514 1.00 PSEN1 (0.34) PSEN1CCR5HPDLMNAGAA
SCHEMBL9027417 0.82
SCHEMBL9027411 0.82
SCHEMBL9028801 0.82
SCHEMBL9028821 0.82
SCHEMBL9028798 0.82
SCHEMBL9028809 0.82
SCHEMBL8308667 0.77 PSEN1 (0.45) PSEN1HPDLMNAGAAMAOB
SCHEMBL5957804 0.75 PSEN1 (0.40) PSEN1HPDLMNAGAAMAOB
SCHEMBL9026485 0.74

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-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP claimed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed