SCHEMBL5331623

SCHEMBL5331623

CCCCCCCCCCn1cc(C(C)C)nc1C(C)CCC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 17/20 0.35
TLR4 O00206 1/20 0.32
TLR3 O15455 1/20 0.32
TLR5 O60602 1/20 0.32
TLR2 O60603 1/20 0.32
CAMK2B Q13554 1/20 0.32
CAMK2G Q13555 1/20 0.32
CAMK2D Q13557 1/20 0.32
CAMK1 Q14012 1/20 0.32
CAMK4 Q16566 1/20 0.32
PNCK Q6P2M8 1/20 0.32
CAMK1D Q8IU85 1/20 0.32
CAMK1G Q96NX5 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CAMK2A Q9UQM7 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
SCHEMBL5331636 1.00 TLR8 (0.35) TLR8TLR4TLR3TLR5TLR2
SCHEMBL5330539 1.00 TLR8 (0.35) TLR8TLR4TLR3TLR5TLR2
SCHEMBL5326839 0.94 TLR8 (0.35) TLR8
SCHEMBL5326631 0.94 TLR8 (0.35) TLR8
SCHEMBL5330479 0.94 TLR8 (0.35) TLR8
SCHEMBL5326591 0.94 TLR8 (0.35) TLR8
SCHEMBL5323768 0.94 TLR8 (0.35) TLR8
SCHEMBL5331200 0.94 TLR8 (0.35) TLR8
SCHEMBL5321143 0.94 TLR8 (0.35) TLR8
SCHEMBL5330119 0.94 TLR8 (0.35) TLR8

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed