SCHEMBL6454375

SCHEMBL6454375

CCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.34
IDO1 P14902 1/20 0.33
APP P05067 3/20 0.33
MAT2A P31153 6/20 0.33
TRPV3 Q8NET8 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
FFAR4 Q5NUL3 3/20 0.31
SLC34A1 Q06495 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6454377 1.00 FASN (0.34) FASNIDO1APPMAT2ATRPV3
SCHEMBL6452694 0.92 FASN (0.35) FASNIDO1APPMAT2ACYP3A4
SCHEMBL6452699 0.92 FASN (0.35) FASNIDO1APPMAT2ACYP3A4
SCHEMBL6458461 0.90 FASN (0.34) FASNIDO1APPMAT2A
SCHEMBL6458456 0.90 FASN (0.34) FASNIDO1APPMAT2A
SCHEMBL6452223 0.89 FASN (0.34) FASNIDO1APPMAT2A
SCHEMBL6452225 0.89 FASN (0.34) FASNIDO1APPMAT2A
SCHEMBL6459200 0.88 FASN (0.33) FASNIDO1APPMAT2ACYP3A4
SCHEMBL6458159 0.88 FASN (0.33) FASNIDO1APPMAT2ACYP3A4
SCHEMBL6459197 0.88 FASN (0.33) FASNIDO1APPMAT2ACYP3A4

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