SCHEMBL6453452

SCHEMBL6453452

CCC1CCC2CC(c3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
FASN P49327 1/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
APP P05067 3/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL6453447 1.00 CYP11B1 (0.36) CYP11B1CYP11B2FASNALOX5APFEN1
SCHEMBL6457328 0.91 CYP11B1 (0.37) CYP11B1CYP11B2FASNAPPPSEN1
SCHEMBL6457324 0.91 CYP11B1 (0.37) CYP11B1CYP11B2FASNAPPPSEN1
SCHEMBL6463545 0.90 FASN (0.35) CYP11B1CYP11B2FASNALOX5APFEN1
SCHEMBL6463542 0.90 FASN (0.35) CYP11B1CYP11B2FASNALOX5APFEN1
SCHEMBL6464170 0.89 CYP11B1 (0.36) CYP11B1CYP11B2FASN
SCHEMBL6464165 0.89 CYP11B1 (0.36) CYP11B1CYP11B2FASN
SCHEMBL6454665 0.89 FASN (0.36) FASNSLC6A2SLC6A4SLC6A3APP
SCHEMBL6457677 0.89 FASN (0.33) FASNALOX5APFEN1
SCHEMBL6457671 0.89 FASN (0.33) FASNALOX5APFEN1

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