SCHEMBL6515560

SCHEMBL6515560

CCO[Si](OCC)(OCC)c1cccc(CC)c1[Si](OCC)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
CYP1A2 P05177 1/20 0.34
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NR1I2 O75469 1/20 0.31
NLRP3 Q96P20 1/20 0.31
KCNH2 Q12809 2/20 0.31
SCN5A Q14524 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1639905 0.86 CYP1A2 (0.35) CYP1A2
SCHEMBL3713760 0.82 MAPT (0.40) GABRA1GABRB2TP53MAPTNPSR1
SCHEMBL6512431 0.79 GABRA1 (0.39) GABRA1GABRB2CYP1A2TP53TAAR1
SCHEMBL13027881 0.79 CYP1A2 (0.35) CYP1A2ELANE
SCHEMBL1639898 0.76 CYP1A2 (0.30) CYP1A2
SCHEMBL13027880 0.76 CA1 (0.37) TP53MAPT
SCHEMBL29520127 0.75 ALDH1A1 (0.33) GABRA1GABRB2CYP1A2TP53NPSR1
SCHEMBL331176 0.75 ALDH1A1 (0.33) GABRA1GABRB2CYP1A2TP53NPSR1
SCHEMBL3458353 0.75 CYP4F2 (0.33) TAAR1MAPTNPSR1L3MBTL1
SCHEMBL13027884 0.74 CYP1A2 (0.35) CYP1A2

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
WO-2005100426-A1 A NANOPARTICLE OF CORE-SHELL TYPE, A METHOD FOR PREPARING THE SAME, A METHOD FOR PREPARING A LOW DIELECTRIC INSULATION FILM BY USING THE SAME, AND A LOW DIELECTRIC INSULATION FILM PREPARED THEREFROM POSTECH FOUNDATION (KR) 2005-10-27 WO claimed
WO-2005100426-A1 A NANOPARTICLE OF CORE-SHELL TYPE, A METHOD FOR PREPARING THE SAME, A METHOD FOR PREPARING A LOW DIELECTRIC INSULATION FILM BY USING THE SAME, AND A LOW DIELECTRIC INSULATION FILM PREPARED THEREFROM POSTECH FOUNDATION (KR) 2005-10-27 WO disclosed