SCHEMBL6451082

SCHEMBL6451082

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.38
FEN1 P39748 4/20 0.38
TNK2 Q07912 2/20 0.36
GRM2 Q14416 7/20 0.36
KDM1A O60341 2/20 0.35
FASN P49327 1/20 0.33
FAAH O00519 1/20 0.33
FFAR4 Q5NUL3 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL6451087 1.00 ALOX5AP (0.38) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6456362 0.93 TNK2 (0.37) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6456367 0.93 TNK2 (0.37) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6450904 0.91 TNK2 (0.36) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6450899 0.91 TNK2 (0.36) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6452257 0.90 TNK2 (0.38) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6452251 0.90 TNK2 (0.38) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6458951 0.90 TNK2 (0.35) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6458949 0.90 TNK2 (0.35) ALOX5APFEN1TNK2GRM2KDM1A
SCHEMBL6451592 0.89 TNK2 (0.35) ALOX5APFEN1TNK2GRM2KDM1A

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