SCHEMBL6453660

SCHEMBL6453660

CCCCCC1CCC2CC(c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
EPHX2 P34913 5/20 0.33
MGLL Q99685 4/20 0.32
PDE2A O00408 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GRM2 Q14416 1/20 0.30
ESR2 Q92731 1/20 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
SCHEMBL6453654 1.00 CTSK (0.36) CTSKNAAAEPHX2MGLLPDE2A
SCHEMBL6454875 0.99 CTSK (0.36) CTSKNAAAEPHX2MGLLPDE2A
SCHEMBL6457815 0.99 CTSK (0.36) CTSKNAAAEPHX2MGLLPDE2A
SCHEMBL6454871 0.99 CTSK (0.36) CTSKNAAAEPHX2MGLLPDE2A
SCHEMBL6457817 0.99 CTSK (0.36) CTSKNAAAEPHX2MGLLPDE2A
SCHEMBL6452981 0.97 CTSK (0.37) CTSKNAAAEPHX2MGLLPDE2A
SCHEMBL6452975 0.97 CTSK (0.37) CTSKNAAAEPHX2MGLLPDE2A
SCHEMBL6451944 0.93 CTSK (0.38) CTSKNAAAEPHX2PDE2AMAPT
SCHEMBL6451948 0.93 CTSK (0.38) CTSKNAAAEPHX2PDE2AMAPT
SCHEMBL6463262 0.92 GAA (0.32) MGLLGAAMAPTESR2

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