SCHEMBL6459052

SCHEMBL6459052

CCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
EPHX2 P34913 6/20 0.33
FASN P49327 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KDM1A O60341 4/20 0.31
CYP2C9 P11712 1/20 0.31
PDE2A O00408 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL6459057 1.00 CTSK (0.36) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6456082 0.94 CTSK (0.35) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6456087 0.94 CTSK (0.35) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL12032038 0.94 CTSK (0.38) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6452918 0.94 CTSK (0.34) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6452913 0.94 CTSK (0.34) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6450785 0.93 CTSK (0.34) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6457172 0.93 CTSK (0.34) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6450783 0.93 CTSK (0.34) CTSKNAAAEPHX2FASNALOX5AP
SCHEMBL6457171 0.93 CTSK (0.34) CTSKNAAAEPHX2FASNALOX5AP

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