SCHEMBL13328637

SCHEMBL13328637

CCCCOc1ccc(OC(F)(F)C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.32
PTGES O14684 2/20 0.32
PPARG P37231 2/20 0.31
PSEN1 P49768 1/20 0.31
HTR2C P28335 2/20 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
SCHEMBL5067004 0.91 KDM1A (0.32)
SCHEMBL5067011 0.91 KDM1A (0.32)
SCHEMBL17615964 0.87 KDM1A (0.33)
SCHEMBL17615963 0.86 ALDH1A1 (0.33)
SCHEMBL17189761 0.85
SCHEMBL12834381 0.84
SCHEMBL15445816 0.84 RIPK1 (0.37) ALOX5PTGESPPARGPSEN1HTR2C
SCHEMBL9562600 0.84 RIPK1 (0.37) ALOX5PTGESPPARGPSEN1HTR2C
SCHEMBL9562592 0.84 RIPK1 (0.37) ALOX5PTGESPPARGPSEN1HTR2C
SCHEMBL9562596 0.84 RIPK1 (0.37) ALOX5PTGESPPARGPSEN1HTR2C

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-7718232-B2 Nematic liquid crystal composition and liquid crystal display element that used the composition DAINIPPON INK & CHEMICAL, INC. (JP) 2010-05-18 US disclosed
US-20080149889-A1 Nematic Liquid Crystal Composition and Liquid Crystal Display Element That Used the Composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-06-26 US disclosed