SCHEMBL6450933

SCHEMBL6450933

CCCC1CCC2CC(c3cc(F)c(-c4ccc(OC(F)(F)F)cc4)c(F)c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
FASN P49327 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
MMP12 P39900 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
LIPE Q05469 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GCGR P47871 1/20 0.31
GRIN2B Q13224 1/20 0.31
CHEK1 O14757 1/20 0.31
PDE2A O00408 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CCNA2 P20248 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
SCHEMBL6450931 1.00 EPHX2 (0.33) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6463217 0.94 EPHX2 (0.34) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6463216 0.94 EPHX2 (0.34) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6454961 0.93 SCN9A (0.34) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6454957 0.93 SCN9A (0.34) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6455556 0.92 SCN9A (0.33) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6459899 0.92 SCN9A (0.33) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6455550 0.92 SCN9A (0.33) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6459904 0.92 SCN9A (0.33) EPHX2FASNKDM1ARCOR1MMP12
SCHEMBL6460651 0.92 KDM1A (0.33) EPHX2FASNKDM1ARCOR1MMP12

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