SCHEMBL6459082

SCHEMBL6459082

CCCCCCC1CCC2CC(c3ccc(-c4cc(F)c(OC)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 4/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30
FFAR1 O14842 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
SCHEMBL6459079 1.00 FASN (0.31) FASNGAAMAPTS1PR1S1PR4
SCHEMBL6452887 1.00 FASN (0.31) FASNGAAMAPTS1PR1S1PR4
SCHEMBL6452889 1.00 FASN (0.31) FASNGAAMAPTS1PR1S1PR4
SCHEMBL6461534 0.99 FASN (0.32) FASNFFAR1
SCHEMBL6461531 0.99 FASN (0.32) FASNFFAR1
SCHEMBL6461043 0.96 FASN (0.32) FASNFFAR1
SCHEMBL6461040 0.96 FASN (0.32) FASNFFAR1
SCHEMBL6457216 0.92 FASN (0.33) FASNMAPTFFAR1
SCHEMBL6457219 0.92 FASN (0.33) FASNMAPTFFAR1
SCHEMBL6452726 0.92 GAA (0.32) FASNGAAMAPT

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