SCHEMBL6464684

SCHEMBL6464684

CCCC1CCC2CC(c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL6464682 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6459553 0.94 CNR1 (0.32) CYP2C9
SCHEMBL6459558 0.94 CNR1 (0.32) CYP2C9
SCHEMBL6460315 0.93 GAA (0.31) CYP2C9MAPT
SCHEMBL6460320 0.93 GAA (0.31) CYP2C9MAPT
SCHEMBL6460303 0.92 GAA (0.33) MAPT
SCHEMBL6455130 0.92 GAA (0.33) MAPT
SCHEMBL6455127 0.92 GAA (0.33) MAPT
SCHEMBL6460299 0.92 GAA (0.33) MAPT
SCHEMBL6455140 0.91 L3MBTL1 (0.31)

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