SCHEMBL6454682

SCHEMBL6454682

CCCCCCCC1CCC2CC(c3ccc(C(=O)Oc4cc(F)c(C#N)c(F)c4)cc3F)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.33
ACHE P22303 4/20 0.33
SCN9A Q15858 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
SCHEMBL6454680 1.00 FASN (0.33) FASNACHESCN9A
SCHEMBL6453809 1.00 FASN (0.33) FASNACHESCN9A
SCHEMBL6453805 1.00 FASN (0.33) FASNACHESCN9A
SCHEMBL6460070 0.99 FASN (0.34) FASNACHESCN9A
SCHEMBL6460069 0.99 FASN (0.34) FASNACHESCN9A
SCHEMBL6458495 0.97 FASN (0.34) FASNACHESCN9A
SCHEMBL6458502 0.97 FASN (0.34) FASNACHESCN9A
SCHEMBL6461415 0.93 FASN (0.35) FASNSCN9A
SCHEMBL6461418 0.93 FASN (0.35) FASNSCN9A
SCHEMBL6458954 0.91 ACHE (0.35) ACHESCN9A

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