SCHEMBL5331725

SCHEMBL5331725

CCCCCCCCCCCn1cc(C)nc1C(C)CCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.37
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5332541 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5323065 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5331390 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5328505 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5329416 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5331296 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5331542 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5328748 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5328094 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1
SCHEMBL5331067 1.00 TLR8 (0.37) TLR8GPR84ALDH1A1TDP1

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