SCHEMBL6453335

SCHEMBL6453335

CCC1CCC(C2CCC3CC(=O)CCC3C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38
SHBG P04278 1/20 0.30

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
SCHEMBL6453332 1.00 TLR4 (0.38) TLR4SHBG
SCHEMBL6453339 1.00 TLR4 (0.38) TLR4SHBG
SCHEMBL22443148 0.91 TLR4 (0.35) TLR4SHBG
SCHEMBL22443089 0.91 TLR4 (0.35) TLR4SHBG
SCHEMBL22443090 0.91 TLR4 (0.35) TLR4SHBG
SCHEMBL22443230 0.87 TLR4 (0.35) TLR4SHBG
SCHEMBL6458413 0.86 TLR4 (0.51) TLR4
SCHEMBL6458424 0.86 TLR4 (0.51) TLR4
SCHEMBL6452593 0.86 TLR4 (0.51) TLR4
SCHEMBL6452598 0.86 TLR4 (0.51) 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