SCHEMBL6454871

SCHEMBL6454871

CCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
MGLL Q99685 4/20 0.33
EPHX2 P34913 5/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PDE2A O00408 1/20 0.31
P2RY14 Q15391 1/20 0.30
DGAT1 O75907 1/20 0.30
GRM2 Q14416 1/20 0.30
CNR2 P34972 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
SCHEMBL6454875 1.00 CTSK (0.36) CTSKNAAAMGLLEPHX2GAA
SCHEMBL6457817 1.00 CTSK (0.36) CTSKNAAAMGLLEPHX2GAA
SCHEMBL6457815 1.00 CTSK (0.36) CTSKNAAAMGLLEPHX2GAA
SCHEMBL6453654 0.99 CTSK (0.36) CTSKNAAAMGLLEPHX2GAA
SCHEMBL6453660 0.99 CTSK (0.36) CTSKNAAAMGLLEPHX2GAA
SCHEMBL6452981 0.96 CTSK (0.37) CTSKNAAAMGLLEPHX2PDE2A
SCHEMBL6452975 0.96 CTSK (0.37) CTSKNAAAMGLLEPHX2PDE2A
SCHEMBL6451948 0.92 CTSK (0.38) CTSKNAAAEPHX2MAPTPDE2A
SCHEMBL6451944 0.92 CTSK (0.38) CTSKNAAAEPHX2MAPTPDE2A
SCHEMBL6464177 0.92 GAA (0.33) MGLLGAAMAPTCNR2

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