SCHEMBL6460295

SCHEMBL6460295

CCCC1CCC2CC(c3ccc(C#Cc4cc(F)c(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
ESR2 Q92731 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
SCHEMBL6460286 1.00 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6452450 0.93 RAB9A (0.32) CYP2C9
SCHEMBL6452454 0.93 RAB9A (0.32) CYP2C9
SCHEMBL6451460 0.92 RAB9A (0.31) CYP2C9MEN1KMT2A
SCHEMBL6451466 0.92 RAB9A (0.31) CYP2C9MEN1KMT2A
SCHEMBL6454021 0.91 SPHK1 (0.32) MAPT
SCHEMBL6454018 0.91 SPHK1 (0.32) MAPT
SCHEMBL6458579 0.91 SPHK1 (0.32) MAPT
SCHEMBL6458575 0.91 SPHK1 (0.32) MAPT
SCHEMBL6452259 0.91 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
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