SCHEMBL6461072

SCHEMBL6461072

C/C=C/CCC1CC[C@@H]2C[C@H](C3CCC(CCC)CC3)CC[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.39

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
SCHEMBL6461080 1.00 TLR4 (0.39) TLR4
SCHEMBL6461077 1.00 TLR4 (0.39) TLR4
SCHEMBL9057102 0.91 TLR4 (0.37) TLR4
SCHEMBL31378079 0.91 TLR4 (0.37) TLR4
SCHEMBL7912011 0.91 TLR4 (0.37) TLR4
SCHEMBL26445645 0.91 TLR4 (0.37) TLR4
SCHEMBL6452152 0.88
SCHEMBL6452157 0.88
SCHEMBL7911892 0.86 CYP1A2 (0.35) TLR4
SCHEMBL7911897 0.86 CYP1A2 (0.35) TLR4

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed