SCHEMBL6455576

SCHEMBL6455576

CCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
NAAA Q02083 1/20 0.37
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
EPHX2 P34913 3/20 0.33
KDM1A O60341 4/20 0.32
PDE2A O00408 3/20 0.32
FASN P49327 1/20 0.32
GRM2 Q14416 4/20 0.31
BRD4 O60885 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
SCHEMBL6455580 1.00 CTSK (0.37) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL6459057 0.92 CTSK (0.36) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL6459052 0.92 CTSK (0.36) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL6460107 0.91 KDM1A (0.31) KDM1AFASNGRM2
SCHEMBL6460102 0.91 KDM1A (0.31) KDM1AFASNGRM2
SCHEMBL6456087 0.91 CTSK (0.35) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL6456082 0.91 CTSK (0.35) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL6455969 0.90 CTSK (0.39) CTSKNAAAEPHX2KDM1APDE2A
SCHEMBL6455978 0.90 CTSK (0.39) CTSKNAAAEPHX2KDM1APDE2A
SCHEMBL6455660 0.90 KDM1A (0.41) NAAAKDM1A

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