SCHEMBL6452913

SCHEMBL6452913

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.34
FASN P49327 1/20 0.31
EPHX2 P34913 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MGLL Q99685 3/20 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
SCHEMBL6452918 1.00 CTSK (0.34) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6457171 0.99 CTSK (0.34) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6450785 0.99 CTSK (0.34) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6457172 0.99 CTSK (0.34) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6450783 0.99 CTSK (0.34) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6456082 0.97 CTSK (0.35) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6456087 0.97 CTSK (0.35) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6459057 0.94 CTSK (0.36) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6459052 0.94 CTSK (0.36) CTSKNAAAFASNEPHX2ALOX5AP
SCHEMBL6451016 0.92 FASN (0.30) FASN

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