SCHEMBL6457567

SCHEMBL6457567

CCC1CC[C@@H]2C[C@H](c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.34
TRPV3 Q8NET8 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL6457571 1.00 FASN (0.34) FASNTRPV3ALOX5APFEN1CYP3A4
SCHEMBL6457677 0.91 FASN (0.33) FASNTRPV3ALOX5APFEN1
SCHEMBL6452640 0.91 FASN (0.35) FASNCYP2C9
SCHEMBL6452636 0.91 FASN (0.35) FASNCYP2C9
SCHEMBL6457671 0.91 FASN (0.33) FASNTRPV3ALOX5APFEN1
SCHEMBL6453056 0.90 SLC6A2 (0.34) FASNTRPV3CYP3A4CYP2C9APP
SCHEMBL6453061 0.90 SLC6A2 (0.34) FASNTRPV3CYP3A4CYP2C9APP
SCHEMBL6463545 0.89 FASN (0.35) FASNTRPV3ALOX5APFEN1CYP3A4
SCHEMBL6463542 0.89 FASN (0.35) FASNTRPV3ALOX5APFEN1CYP3A4
SCHEMBL16258093 0.89 FASN (0.35) FASNALOX5APFEN1CYP3A4CYP2C9

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