SCHEMBL6455550

SCHEMBL6455550

CCCCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(OC(F)(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
EPHX2 P34913 2/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
FASN P49327 1/20 0.31
RAB9A P51151 1/20 0.30
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30
LIPE Q05469 1/20 0.30
MMP12 P39900 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
SCHEMBL6455556 1.00 SCN9A (0.33) SCN9AEPHX2GAAMAPTFASN
SCHEMBL6459904 1.00 SCN9A (0.33) SCN9AEPHX2GAAMAPTFASN
SCHEMBL6459899 1.00 SCN9A (0.33) SCN9AEPHX2GAAMAPTFASN
SCHEMBL6454961 0.99 SCN9A (0.34) SCN9AEPHX2GAAMAPTFASN
SCHEMBL6454957 0.99 SCN9A (0.34) SCN9AEPHX2GAAMAPTFASN
SCHEMBL6463217 0.96 EPHX2 (0.34) SCN9AEPHX2FASNRAB9AKDM1A
SCHEMBL6463216 0.96 EPHX2 (0.34) SCN9AEPHX2FASNRAB9AKDM1A
SCHEMBL6450931 0.92 EPHX2 (0.33) EPHX2FASNKDM1ARCOR1LIPE
SCHEMBL6450933 0.92 EPHX2 (0.33) EPHX2FASNKDM1ARCOR1LIPE
SCHEMBL7907854 0.90 SCN9A (0.37) SCN9AGAAMAPTKDM1ARCOR1

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