SCHEMBL9849073

SCHEMBL9849073

CC(c1c2c(cc(OCc3ccccc3)c1C(C)(C)C)CC(C)(C)O2)[C@@H]1C[C@@H](O)CC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.37
CASP3 P42574 3/20 0.37
CASP7 P55210 3/20 0.37
CASP6 P55212 3/20 0.37
CASP8 Q14790 3/20 0.37
MAOB P27338 1/20 0.34
HIF1A Q16665 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9849121 0.83 MAOB (0.32) CASP1CASP3CASP7CASP6CASP8
SCHEMBL9028352 0.82 HMGCR (0.37)
SCHEMBL9028360 0.82 HMGCR (0.37)
SCHEMBL9849056 0.82 MAOB (0.32) CASP1CASP3CASP7CASP6CASP8
SCHEMBL9571565 0.80 HMGCR (0.30)
SCHEMBL9571524 0.78
SCHEMBL9571408 0.77 HMGCR (0.30)
SCHEMBL9780082 0.77 MAOB (0.34) CASP1CASP3CASP7CASP6CASP8
SCHEMBL9571429 0.76 MAPT (0.30)
SCHEMBL9027704 0.76 HMGCR (0.42)

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