SCHEMBL9027866

SCHEMBL9027866

C=C(C)Cc1c(O)cc(CCC)c(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 1/20 0.36
PRKCI P41743 1/20 0.35
TYR P14679 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
HMGCR P04035 1/20 0.34
ALOX5 P09917 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
HIF1A Q16665 1/20 0.32
PTPN1 P18031 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
SCHEMBL9028606 0.79 HTT (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028203 0.75 HTT (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9028435 0.73 DHFR (0.37) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9029571 0.72 HTT (0.53) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9027854 0.72 CA1 (0.38) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5677726 0.72 HMGCR (0.40) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5532933 0.71 HMGCR (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1760617 0.71 HMGCR (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL27887691 0.70 HMGCR (0.45) HTTMAPK1PRKCIHMGCRALOX5
SCHEMBL5919979 0.70 HMGCR (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4356435-A None JP disclosed
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
JP-H04356435-A PROPENE DERIBATIVE FUJIREBIO INC 1992-12-10 JP 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