SCHEMBL6458575

SCHEMBL6458575

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4cc(F)c(F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CNR2 P34972 7/20 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
SCHEMBL6458579 1.00 SPHK1 (0.32) SPHK1GAAMAPTRAB9ACNR2
SCHEMBL6454021 1.00 SPHK1 (0.32) SPHK1GAAMAPTRAB9ACNR2
SCHEMBL6454018 1.00 SPHK1 (0.32) SPHK1GAAMAPTRAB9ACNR2
SCHEMBL6451460 0.99 RAB9A (0.31) SPHK1RAB9A
SCHEMBL6451466 0.99 RAB9A (0.31) SPHK1RAB9A
SCHEMBL6452450 0.96 RAB9A (0.32) RAB9A
SCHEMBL6452454 0.96 RAB9A (0.32) RAB9A
SCHEMBL6457915 0.92 SPHK1 (0.32) SPHK1GAAMAPTRAB9ACNR2
SCHEMBL6457911 0.92 SPHK1 (0.32) SPHK1GAAMAPTRAB9ACNR2
SCHEMBL6454419 0.92 SPHK1 (0.32) SPHK1GAAMAPTRAB9ACNR2

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