SCHEMBL5011000

SCHEMBL5011000

CCCCCCCCCCCCCCCCCCc1cccc2c3c(ccc12)-c1cccc2cccc-3c12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
TLR8 Q9NR97 4/20 0.39
ELANE P08246 3/20 0.39
CTSG P08311 2/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KCNH2 Q12809 1/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
KAT8 Q9H7Z6 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
SCHEMBL5012391 0.87 CYP1B1 (0.40) CNR1TLR8ELANECTSGNR1H2
SCHEMBL5010798 0.82 TLR8 (0.36) CNR1TLR8ELANECTSGKCNH2
SCHEMBL87415 0.78 ELANE (0.44) CNR1TLR8ELANECTSGNR1H2
SCHEMBL5010999 0.77 TLR8 (0.41) CNR1TLR8NR1H2NR1H3LIPG
SCHEMBL15229924 0.76 CNR1 (0.43) CNR1TLR8ELANECTSGNR1H2
SCHEMBL28495582 0.75 MEN1 (0.46) TLR8LIPGKCNH2BIDMCL1
SCHEMBL2577637 0.75 LIPG (0.49) CNR1TLR8LIPGKCNH2BID
SCHEMBL28452662 0.75 LIPG (0.49) CNR1TLR8LIPGKCNH2BID
SCHEMBL9764124 0.75 LIPG (0.49) CNR1TLR8LIPGKCNH2BID
SCHEMBL9621111 0.75 LIPG (0.49) CNR1TLR8LIPGKCNH2BID

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