SCHEMBL5180751

SCHEMBL5180751

CCOCc1nc2c(c3c1ncn3CC(C)(C)O)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.37
TLR8 Q9NR97 3/20 0.33
NUDT1 P36639 2/20 0.33

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
SCHEMBL7006782 0.79 TLR7 (0.55) TLR7TLR8NUDT1
SCHEMBL8113946 0.78 TLR7 (0.54) TLR7NUDT1
SCHEMBL1538304 0.70 TLR7 (0.59) TLR7TLR8NUDT1
Water SCHEMBL29421423 0.69 TLR7 (0.58) TLR7TLR8NUDT1
Water SCHEMBL622142 0.69 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL24024902 0.67 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL8123096 0.64 TLR7 (0.49) TLR7TLR8NUDT1
SCHEMBL29606142 0.64 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL22898779 0.64 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL1891398 0.63 TLR7 (0.35) TLR7NUDT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765310-A2 A MIXTURE FOR TRANSDERMAL DELIVERY OF LOW AND HIGH MOLECULAR WEIGHT COMPOUNDS ORYXE (US) 2007-03-28 EP disclosed
WO-2006041538-A2 A MIXTURE FOR TRANSDERMAL DELIVERY OF LOW AND HIGH MOLECULAR WEIGHT COMPOUNDS ORYXE (US) 2006-04-20 WO disclosed