SCHEMBL9028255

SCHEMBL9028255

C=CCOc1cc(C(C)C)c(OC(C)=O)c(C(C)C)c1CC(=C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRNA4 P43681 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.32
TSHR P16473 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
SCHEMBL9027573 0.74 KDM4E (0.34) KDM4EGAATSHRPTGS1ALDH1A1
SCHEMBL9028266 0.74 KDM4E (0.36) KDM4ESMN1; SMN2GAATSHRPTGS1
SCHEMBL9028192 0.72 KDM4E (0.37) KDM4EPTGS1KMT2A
SCHEMBL9028412 0.71 ADRB2 (0.41) CYP1A2ADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL11705934 0.70 CYP1A2 (0.39) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL9028770 0.69 RXRA (0.35) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL9028742 0.66 THRB (0.40) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL9028771 0.66 KDM4E (0.36) CYP1A2CYP2D6ADRA1AKDM4EGAA
SCHEMBL8600805 0.66 HTT (0.44) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL9027557 0.64 ACHE (0.40) CYP1A2CYP2D6ADRA1AKDM4EGAA

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