SCHEMBL6457732

SCHEMBL6457732

CCCCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(CC)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.40
SPHK2 Q9NRA0 7/20 0.36
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 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
SCHEMBL6452896 1.00 SPHK1 (0.40) SPHK1SPHK2GAAMAPTRAB9A
SCHEMBL6457734 1.00 SPHK1 (0.40) SPHK1SPHK2GAAMAPTRAB9A
SCHEMBL6452900 1.00 SPHK1 (0.40) SPHK1SPHK2GAAMAPTRAB9A
SCHEMBL6453349 0.99 SPHK1 (0.38) SPHK1SPHK2RAB9A
SCHEMBL6453343 0.99 SPHK1 (0.38) SPHK1SPHK2RAB9A
SCHEMBL6455249 0.95 SPHK1 (0.36) SPHK1SPHK2MAPTRAB9A
SCHEMBL6455254 0.95 SPHK1 (0.36) SPHK1SPHK2MAPTRAB9A
SCHEMBL6451987 0.92 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL6457409 0.92 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL6457403 0.92 SPHK1 (0.44) SPHK1SPHK2

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