SCHEMBL6454977

SCHEMBL6454977

CCCC1CCC(C2CCC3CC(c4cc(F)c(F)c(F)c4)CCC3C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38
CYP2C9 P11712 1/20 0.37
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
SCN9A Q15858 1/20 0.30
ALOX5 P09917 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
SCHEMBL6459078 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454974 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6460414 0.93 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454556 0.93 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454553 0.93 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2827775 0.93 TLR4 (0.37) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7569241 0.91 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8737129 0.91 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2884363 0.91 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL3437358 0.91 CYP2C9 (0.43) TLR4CYP2C9ALDH1A1LMNAMAPT

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 5 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
JP-2000229896-A DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK & CHEM INC 2000-08-22 JP disclosed