SCHEMBL9804308

SCHEMBL9804308

CCCCCc1c(CCCCC)c(CCCCC)c2c(c1CCCCC)=c1ccccc1=2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.41
LIPG Q9Y5X9 2/20 0.41
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD11B1 P28845 1/20 0.39
LPL P06858 1/20 0.38

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
SCHEMBL9419540 0.98 LIPG (0.44) TLR8LIPGKCNH2KDM4EALDH1A1
SCHEMBL5713368 0.77 TLR8 (0.51) TLR8LIPGKCNH2KDM4EALDH1A1
SCHEMBL20656620 0.76 LIPG (0.45) TLR8LIPGKCNH2
SCHEMBL6557581 0.76 LIPG (0.45) TLR8LIPGKCNH2
Benzene SCHEMBL2538746 0.76 KCNH2 (0.50) TLR8LIPGKCNH2KDM4EALDH1A1
SCHEMBL11148331 0.76 TLR8 (0.53) TLR8LIPGKCNH2KDM4EALDH1A1
SCHEMBL14888955 0.76 TLR8 (0.53) TLR8LIPGKCNH2KDM4EALDH1A1
SCHEMBL14888795 0.76 TLR8 (0.53) TLR8LIPGKCNH2KDM4EALDH1A1
Toluene SCHEMBL17008152 0.76 LMNA (0.50) TLR8LIPGKCNH2HSD11B1
SCHEMBL6536242 0.76 TLR8 (0.53) TLR8LIPGKCNH2KDM4EALDH1A1

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
JP-3095259-A None JP disclosed
JP-H0395259-A RESIN COMPOSITION TORAY IND INC 1991-04-19 JP disclosed
JP-H00395259-A 0001-01-01 JP disclosed