SCHEMBL8700359

SCHEMBL8700359

CCCCCc1ccccc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
BACE1 P56817 1/20 0.41
ALOX5 P09917 2/20 0.39
PTGS2 P35354 1/20 0.39
TLR8 Q9NR97 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9478388 0.87 LIPG (0.38) LIPGBACE1ALOX5PTGS2THRA
SCHEMBL21587953 0.77 BACE1 (0.44) BACE1
SCHEMBL6438766 0.77 IDO1 (0.53) BACE1HTT
SCHEMBL7922813 0.77 BACE1 (0.44) BACE1MAPTHTT
SCHEMBL2750402 0.77 BACE1 (0.47) BACE1MEN1MAPTKMT2A
SCHEMBL6434846 0.76 BACE1 (0.51) BACE1
SCHEMBL6436782 0.76 BACE1 (0.51) BACE1
SCHEMBL2141528 0.76 LIPG (0.53) LIPGALOX5PTGS2TLR8THRA
SCHEMBL30037094 0.75 LIPG (0.65) LIPGALOX5PTGS2TLR8THRA
SCHEMBL82794 0.75 LIPG (0.65) LIPGALOX5PTGS2TLR8THRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998011077-A1 MATERIALS FOR CHIROOPTICAL DEVICES CHISSO CORPORATION (JP) 1998-03-19 WO disclosed