SCHEMBL6459809

SCHEMBL6459809

CCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.35
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AXL P30530 2/20 0.30
TYRO3 Q06418 2/20 0.30
MERTK Q12866 2/20 0.30
ESR2 Q92731 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL6459811 1.00 FASN (0.35) FASNCYP11B1CYP11B2AXLTYRO3
SCHEMBL6460167 0.97 FASN (0.35) FASNCYP11B1CYP11B2AXLTYRO3
SCHEMBL6460171 0.97 FASN (0.35) FASNCYP11B1CYP11B2AXLTYRO3
SCHEMBL6458633 0.96 FASN (0.34) FASNCYP11B1CYP11B2
SCHEMBL6454089 0.96 FASN (0.34) FASNCYP11B1CYP11B2
SCHEMBL6458629 0.96 FASN (0.34) FASNCYP11B1CYP11B2
SCHEMBL6454084 0.96 FASN (0.34) FASNCYP11B1CYP11B2
SCHEMBL6457908 0.93 FASN (0.36) FASNCYP11B1CYP11B2ALOX5APFEN1
SCHEMBL6457917 0.93 FASN (0.36) FASNCYP11B1CYP11B2ALOX5APFEN1
SCHEMBL6464165 0.91 CYP11B1 (0.36) FASNCYP11B1CYP11B2

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