SCHEMBL6777762

SCHEMBL6777762

CCCCS(=O)(=O)N1CCC(CCn2c(COCC)nc3c(N)nc(C)c(C)c32)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.37
TLR7 Q9NYK1 12/20 0.35
TLR8 Q9NR97 8/20 0.35
NUDT1 P36639 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL6780316 0.93 TLR7 (0.38) TGFBR1TLR7TLR8NUDT1LMNA
SCHEMBL6281876 0.88 TLR7 (0.38) TLR7TLR8NUDT1LMNA
SCHEMBL6284763 0.86 ALDH1A1 (0.39) TLR7TLR8NUDT1ALDH1A1
SCHEMBL6780878 0.86 TLR7 (0.36) TGFBR1TLR7TLR8NUDT1
SCHEMBL6783346 0.85 TLR7 (0.38) TGFBR1TLR7TLR8NUDT1ALDH1A1
SCHEMBL6773193 0.83 GNAI3 (0.39) TLR7TLR8NUDT1CTSDBACE1
SCHEMBL6776588 0.81 EPHX2 (0.37) TLR7TLR8NUDT1CTSDBACE1
SCHEMBL6780086 0.81 TLR7 (0.41) TGFBR1TLR7TLR8NUDT1ALDH1A1
SCHEMBL6779825 0.81 MEN1 (0.40) TGFBR1TLR7TLR8KDM4EALDH1A1
SCHEMBL5339393 0.80 TLR8 (0.40) TLR7TLR8NUDT1

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-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed