SCHEMBL9028203

SCHEMBL9028203

C=C(C)Cc1c(O)cc(C)c(O)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 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
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
CYP19A1 P11511 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32
MAOB P27338 2/20 0.31
TRPA1 O75762 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2B6 P20813 1/20 0.31

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
SCHEMBL14283810 0.79 KDM4E (0.34) HTTHPGDMAPK1NPSR1KDM4E
SCHEMBL9029571 0.77 HTT (0.53) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9027866 0.75 HTT (0.40) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028606 0.73 HTT (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028198 0.73 BCL2 (0.36) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5678265 0.72 ALOX5 (0.43) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9861965 0.72 LDHA (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028435 0.71 DHFR (0.37) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028451 0.69 SELL (0.39) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL21515872 0.69 MAOB (0.33) 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