SCHEMBL5008901

SCHEMBL5008901

CCCCCCCCCCCCc1cc2cccc3c2c(c1CCCCCCCCCCCC)-c1ccccc1-3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.43
GPR3 P46089 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KCNH2 Q12809 1/20 0.39
ELANE P08246 4/20 0.38
CTSG P08311 2/20 0.38
CNR1 P21554 1/20 0.37
GCGR P47871 3/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL16796020 0.99 TLR8 (0.44) TLR8GPR3NR1H2NR1H3LIPG
SCHEMBL11693719 0.94 TLR8 (0.43) TLR8ELANECTSGALDH1A1TP53
SCHEMBL11689514 0.85 ALDH1A1 (0.40) TLR8ELANECTSGGCGRALDH1A1
SCHEMBL27684805 0.82 ELANE (0.42) TLR8GPR3NR1H2NR1H3LIPG
SCHEMBL5010999 0.82 TLR8 (0.41) TLR8NR1H2NR1H3LIPGCNR1
SCHEMBL19371898 0.82 TLR8 (0.43) TLR8GPR3NR1H2NR1H3LIPG
SCHEMBL28676696 0.81 ALDH1A1 (0.42) TLR8GPR3NR1H2NR1H3LIPG
SCHEMBL11229645 0.78 TLR8 (0.59) TLR8GPR3NR1H2NR1H3LIPG
SCHEMBL11227235 0.78 TLR8 (0.59) TLR8GPR3NR1H2NR1H3LIPG
SCHEMBL20656619 0.77 ELANE (0.45) TLR8GPR3NR1H2NR1H3LIPG

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
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed