SCHEMBL6464177

SCHEMBL6464177

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)C(F)F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MGLL Q99685 3/20 0.32
CNR2 P34972 7/20 0.31
ESR2 Q92731 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
SCHEMBL6452143 1.00 GAA (0.33) GAAMAPTMGLLCNR2ESR2
SCHEMBL6452138 1.00 GAA (0.33) GAAMAPTMGLLCNR2ESR2
SCHEMBL6464179 1.00 GAA (0.33) GAAMAPTMGLLCNR2ESR2
SCHEMBL6463262 0.99 GAA (0.32) GAAMAPTMGLLESR2
SCHEMBL6463267 0.99 GAA (0.32) GAAMAPTMGLLESR2
SCHEMBL6453346 0.96 ESR2 (0.33) MGLLESR2
SCHEMBL6453342 0.96 ESR2 (0.33) MGLLESR2
SCHEMBL6451142 0.93 CYP2C9 (0.34) MAPT
SCHEMBL6451140 0.93 CYP2C9 (0.34) MAPT
SCHEMBL6457817 0.92 CTSK (0.36) GAAMAPTMGLLCNR2

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