SCHEMBL8454482

SCHEMBL8454482

CC(C)(C)[Si](C)(C)Oc1c(F)cc(-c2ccc(Br)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.39
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
PREP P48147 3/20 0.33
PPARA Q07869 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
EPRS1 P07814 1/20 0.32
MAPT P10636 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 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
SCHEMBL8453504 0.84 ALOX5AP (0.44) APLNRALOX5APFEN1MAPTRAB9A
SCHEMBL5981001 0.84 MAPT (0.42) APLNRALOX5APFEN1MAPTCA12
SCHEMBL8452608 0.82 MAPT (0.37) APLNRALOX5APFEN1MAPT
SCHEMBL8455950 0.82 CYP17A1 (0.39) APLNRALOX5APFEN1PREPCYP11B1
SCHEMBL23190502 0.78 ALOX5AP (0.38) APLNRALOX5APFEN1MAPTCA12
SCHEMBL2607317 0.77 PREP (0.51) PREPALDH1A1MAPK1MAPTCA12
SCHEMBL6938316 0.74 ALOX5AP (0.41) APLNRALOX5APFEN1PREPCA12
SCHEMBL15085977 0.74 APLNR (0.45) APLNRALOX5APFEN1ALDH1A1MAPK1
SCHEMBL9293122 0.73 PREP (0.43) APLNRALOX5APFEN1PREPCYP11B1
SCHEMBL8454493 0.73 APLNR (0.40) APLNRALOX5APFEN1MAPT

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
US-6004478-A LIQUID CRYSTAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-12-21 US disclosed
EP-0732335-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-09-18 EP disclosed