SCHEMBL6450904

SCHEMBL6450904

CCCCC1CCC2CC(c3ccc(-c4ccc(OCC(F)(F)F)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
GRM2 Q14416 7/20 0.34
KDM1A O60341 2/20 0.33
FASN P49327 1/20 0.33
PPARD Q03181 2/20 0.32
FAAH O00519 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
DGAT1 O75907 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
SCHEMBL6450899 1.00 TNK2 (0.36) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6458949 0.97 TNK2 (0.35) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6458951 0.97 TNK2 (0.35) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6454879 0.96 TNK2 (0.35) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6451588 0.96 TNK2 (0.35) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6454877 0.96 TNK2 (0.35) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6451592 0.96 TNK2 (0.35) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6456367 0.95 TNK2 (0.37) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6456362 0.95 TNK2 (0.37) TNK2ALOX5APFEN1GRM2KDM1A
SCHEMBL6452367 0.91 TNK2 (0.38) TNK2GRM2KDM1AFAAHDGAT1

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