SCHEMBL6455898

SCHEMBL6455898

CCCCCCCC1CCC2CC(c3ccc(-c4cc(F)cc(F)c4)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SPHK1 Q9NYA1 5/20 0.34
RAB9A P51151 1/20 0.33
CNR2 P34972 7/20 0.32
DGAT1 O75907 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
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
SCHEMBL6460094 1.00 GAA (0.35) GAAMAPTSPHK1RAB9ACNR2
SCHEMBL6460089 1.00 GAA (0.35) GAAMAPTSPHK1RAB9ACNR2
SCHEMBL6455894 1.00 GAA (0.35) GAAMAPTSPHK1RAB9ACNR2
SCHEMBL6463397 0.99 MAPT (0.33) GAAMAPTSPHK1RAB9ACNR2
SCHEMBL6463391 0.99 MAPT (0.33) GAAMAPTSPHK1RAB9ACNR2
SCHEMBL6454569 0.95 RAB9A (0.34) GAAMAPTSPHK1RAB9ACNR2
SCHEMBL6454572 0.95 RAB9A (0.34) GAAMAPTSPHK1RAB9ACNR2
SCHEMBL6459111 0.92 GAA (0.37) GAAMAPTSPHK1CNR2CYP2C9
SCHEMBL6459106 0.92 GAA (0.37) GAAMAPTSPHK1CNR2CYP2C9
SCHEMBL6458712 0.92 GAA (0.37) GAAMAPTSPHK1CNR2CYP2C9

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