SCHEMBL9028606

SCHEMBL9028606

C=C(C)Cc1c(O)cc(C)cc1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 1/20 0.37
HMGCR P04035 1/20 0.35
CNR1 P21554 2/20 0.33
ALOX5 P09917 1/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 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
SCHEMBL23387427 0.82 HTT (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9027866 0.79 HTT (0.40) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028451 0.77 SELL (0.39) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028351 0.77 CYP19A1 (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9027262 0.75 IAPP (0.38) PRKCI
SCHEMBL9743217 0.73 HTT (0.56) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028203 0.73 HTT (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9029571 0.73 HTT (0.53) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676839 0.72 SELL (0.54) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL17734346 0.72 ACHE (0.54) HTTNPC1HPGDMAPK1RAB9A

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