SCHEMBL6452393

SCHEMBL6452393

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.32
ESR1 P03372 2/20 0.32
FASN P49327 1/20 0.32
HIF1A Q16665 1/20 0.31
NAAA Q02083 1/20 0.31
FFAR4 Q5NUL3 3/20 0.30
PDE4B Q07343 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GRM2 Q14416 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
SCHEMBL6452388 1.00 KDM1A (0.32) KDM1AESR1FASNHIF1ANAAA
SCHEMBL6452183 0.92 FASN (0.33) KDM1AESR1FASN
SCHEMBL6452178 0.92 FASN (0.33) KDM1AESR1FASN
SCHEMBL6453845 0.91 ESR1 (0.32) KDM1AESR1FASN
SCHEMBL6453848 0.91 ESR1 (0.32) KDM1AESR1FASN
SCHEMBL6455666 0.90 KDM1A (0.41) KDM1AHIF1ANAAA
SCHEMBL6455660 0.90 KDM1A (0.41) KDM1AHIF1ANAAA
SCHEMBL6462239 0.90 GRIN1 (0.33) KDM1AESR1HIF1ANAAAPDE4B
SCHEMBL6462244 0.90 GRIN1 (0.33) KDM1AESR1HIF1ANAAAPDE4B
SCHEMBL6454644 0.90 MGLL (0.32) ESR1FASN

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