SCHEMBL6455022

SCHEMBL6455022

CCC1CCC2CC(c3ccc(-c4ccc(OC(F)(F)F)cc4)c(F)c3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
MMP12 P39900 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
KDM1A O60341 3/20 0.34
RCOR1 Q9UKL0 1/20 0.34
FASN P49327 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHEK1 O14757 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
MAOB P27338 2/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
FFAR1 O14842 1/20 0.31
CNR1 P21554 1/20 0.31
APP P05067 1/20 0.31
EPHX2 P34913 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
SCHEMBL6455015 1.00 GRM2 (0.39) GRM2MMP12FFAR4KDM1ARCOR1
SCHEMBL6463237 0.92 GRM2 (0.38) GRM2MMP12FFAR4KDM1ARCOR1
SCHEMBL6463242 0.92 GRM2 (0.38) GRM2MMP12FFAR4KDM1ARCOR1
SCHEMBL6453790 0.91 SCN9A (0.36) GRM2FASNCYP3A4CYP2C9APP
SCHEMBL6453787 0.91 SCN9A (0.36) GRM2FASNCYP3A4CYP2C9APP
SCHEMBL6452806 0.90 GRM2 (0.37) GRM2MMP12FFAR4KDM1ARCOR1
SCHEMBL6452813 0.90 GRM2 (0.37) GRM2MMP12FFAR4KDM1ARCOR1
SCHEMBL6459852 0.89 GRM2 (0.36) GRM2MMP12FFAR4KDM1ARCOR1
SCHEMBL6459857 0.89 GRM2 (0.36) GRM2MMP12FFAR4KDM1ARCOR1
SCHEMBL16579008 0.89 GRM2 (0.43) GRM2MMP12FFAR4KDM1ARCOR1

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