SCHEMBL6464459

SCHEMBL6464459

Fc1cc(C2CC[C@@H]3CC(C4CCC5(CC4)OCCO5)CC[C@H]3C2)cc(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL12228210 0.91 NPC1 (0.33) NPC1RAB9A
SCHEMBL6459474 0.87 NPC1 (0.32) NPC1RAB9A
SCHEMBL5686332 0.82
SCHEMBL18100605 0.78 NPC1 (0.34) NPC1RAB9A
SCHEMBL6460388 0.78
SCHEMBL14228597 0.77 ALOX5 (0.34)
SCHEMBL9481353 0.77 NPC1 (0.37) NPC1RAB9A
SCHEMBL7780450 0.77 NPC1 (0.37) NPC1RAB9A
SCHEMBL20052522 0.77 ALOX5 (0.36)
SCHEMBL6456856 0.76 ESR2 (0.34)

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