SCHEMBL6458633

SCHEMBL6458633

CCCCCCCC1CCC2CC(c3ccc(-c4ccc(F)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RARB P10826 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
GCGR P47871 1/20 0.30
PDE5A O76074 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
SCHEMBL6454089 1.00 FASN (0.34) FASNGAAMAPTRARBCYP11B1
SCHEMBL6458629 1.00 FASN (0.34) FASNGAAMAPTRARBCYP11B1
SCHEMBL6454084 1.00 FASN (0.34) FASNGAAMAPTRARBCYP11B1
SCHEMBL6460167 0.99 FASN (0.35) FASNGAAMAPTRARBCYP11B1
SCHEMBL6460171 0.99 FASN (0.35) FASNGAAMAPTRARBCYP11B1
SCHEMBL6459811 0.96 FASN (0.35) FASNCYP11B1CYP11B2
SCHEMBL6459809 0.96 FASN (0.35) FASNCYP11B1CYP11B2
SCHEMBL6457917 0.91 FASN (0.36) FASNMAPTCYP11B1CYP11B2CYP3A4
SCHEMBL6457908 0.91 FASN (0.36) FASNMAPTCYP11B1CYP11B2CYP3A4
SCHEMBL6464023 0.91 CYP11B1 (0.35) FASNGAAMAPTRARBCYP11B1

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