SCHEMBL6453517

SCHEMBL6453517

CCCCCC1CCC2CC(c3cc(F)c(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
EPHX2 P34913 5/20 0.32
PDE2A O00408 3/20 0.32
XDH P47989 1/20 0.31
HCRTR1 O43613 4/20 0.30
HCRTR2 O43614 4/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL6453510 1.00 CTSK (0.33) CTSKNAAAEPHX2PDE2AXDH
SCHEMBL6459416 0.99 CTSK (0.33) CTSKNAAAEPHX2PDE2AXDH
SCHEMBL6456499 0.99 CTSK (0.33) CTSKNAAAEPHX2PDE2AXDH
SCHEMBL6459420 0.99 CTSK (0.33) CTSKNAAAEPHX2PDE2AXDH
SCHEMBL6456494 0.99 CTSK (0.33) CTSKNAAAEPHX2PDE2AXDH
SCHEMBL6453482 0.97 CTSK (0.34) CTSKNAAAEPHX2PDE2AHCRTR1
SCHEMBL6453475 0.97 CTSK (0.34) CTSKNAAAEPHX2PDE2AHCRTR1
SCHEMBL6452361 0.93 CTSK (0.35) CTSKNAAAEPHX2PDE2AHCRTR1
SCHEMBL6452365 0.93 CTSK (0.35) CTSKNAAAEPHX2PDE2AHCRTR1
SCHEMBL17175204 0.92 EPHX2 (0.34) CTSKNAAAEPHX2PDE2AHCRTR1

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