SCHEMBL6459474

SCHEMBL6459474

Fc1cc(F)cc(C2CC[C@@H]3CC(C4CCC5(CC4)OCCO5)CC[C@H]3C2)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL18100605 0.91 NPC1 (0.34) NPC1RAB9A
SCHEMBL6460388 0.90
SCHEMBL6464459 0.87 NPC1 (0.31) NPC1RAB9A
SCHEMBL13920734 0.81 NPC1 (0.34) NPC1RAB9A
SCHEMBL12228210 0.78 NPC1 (0.33) NPC1RAB9A
SCHEMBL7028648 0.77 NPC1 (0.36) NPC1RAB9A
SCHEMBL7032739 0.77 NPC1 (0.36) NPC1RAB9A
SCHEMBL16405310 0.75 NPC1 (0.30) NPC1RAB9A
SCHEMBL6456042 0.74 KDM4E (0.31)
SCHEMBL6460962 0.73 ESR2 (0.32)

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