SCHEMBL6455038

SCHEMBL6455038

CCC[C@H]1CC[C@H](C2CCC3CC(C=O)CCC3C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.40
CYP2C9 P11712 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
SCHEMBL6455043 1.00 TLR4 (0.40) TLR4CYP2C9
SCHEMBL6456072 1.00 TLR4 (0.40) TLR4CYP2C9
SCHEMBL6455041 1.00 TLR4 (0.40) TLR4CYP2C9
SCHEMBL6464686 0.93 TLR4 (0.35) TLR4
SCHEMBL6464689 0.93 TLR4 (0.35) TLR4
SCHEMBL10837428 0.91 TLR4 (0.35) TLR4
SCHEMBL6453271 0.91 TLR4 (0.35) TLR4
SCHEMBL6458146 0.91 TLR4 (0.35) TLR4
SCHEMBL6453263 0.91 TLR4 (0.35) TLR4
SCHEMBL11903801 0.90 TLR4 (0.39) 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