SCHEMBL6450887

SCHEMBL6450887

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GRM2 Q14416 1/20 0.33
CNR2 P34972 7/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL6456907 1.00 SPHK1 (0.34) SPHK1GAAMAPTRAB9AGRM2
SCHEMBL6456898 1.00 SPHK1 (0.34) SPHK1GAAMAPTRAB9AGRM2
SCHEMBL6450890 1.00 SPHK1 (0.34) SPHK1GAAMAPTRAB9AGRM2
SCHEMBL6458739 0.99 RAB9A (0.33) SPHK1GAAMAPTRAB9AGRM2
SCHEMBL6458732 0.99 RAB9A (0.33) SPHK1GAAMAPTRAB9AGRM2
SCHEMBL6452908 0.95 RAB9A (0.34) SPHK1MAPTRAB9ACNR2MEN1
SCHEMBL6452914 0.95 RAB9A (0.34) SPHK1MAPTRAB9ACNR2MEN1
SCHEMBL14526182 0.93 SPHK1 (0.39) SPHK1GAAMAPTGRM2CNR2
SCHEMBL14526181 0.93 SPHK1 (0.39) SPHK1GAAMAPTGRM2CNR2
SCHEMBL14526180 0.92 SPHK1 (0.37) SPHK1GAAMAPTRAB9AGRM2

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