SCHEMBL6457328

SCHEMBL6457328

CCCC1CCC2CC(c3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
FASN P49327 1/20 0.35
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM3 P20309 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
APP P05067 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
SCHEMBL6457324 1.00 CYP11B1 (0.37) CYP11B1CYP11B2FASNCYP2C9ALDH1A1
SCHEMBL6464170 0.94 CYP11B1 (0.36) CYP11B1CYP11B2FASN
SCHEMBL6464165 0.94 CYP11B1 (0.36) CYP11B1CYP11B2FASN
SCHEMBL6458156 0.93 CYP11B1 (0.35) CYP11B1CYP11B2FASN
SCHEMBL6458152 0.93 CYP11B1 (0.35) CYP11B1CYP11B2FASN
SCHEMBL6464023 0.92 CYP11B1 (0.35) CYP11B1CYP11B2FASNMAPT
SCHEMBL6461279 0.92 CYP11B1 (0.35) CYP11B1CYP11B2FASNMAPT
SCHEMBL6464025 0.92 CYP11B1 (0.35) CYP11B1CYP11B2FASNMAPT
SCHEMBL6461276 0.92 CYP11B1 (0.35) CYP11B1CYP11B2FASNMAPT
SCHEMBL6453452 0.91 CYP11B1 (0.36) CYP11B1CYP11B2FASNCYP2C9PSEN1

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