SCHEMBL14525972

SCHEMBL14525972

CCCc1ccc(C#Cc2ccc3c(F)c(F)ccc3c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ACACB O00763 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
PLAU P00749 1/20 0.32
NCEH1 Q6PIU2 2/20 0.31
ASIC3 Q9UHC3 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL14525979 0.88 PLAU (0.40) FFAR1ACACBCYP1A1CYP1A2CYP1B1
SCHEMBL14525981 0.86 CYP1A1 (0.34) CYP1A1CYP1A2CYP1B1PLAUASIC3
SCHEMBL14526040 0.85 FFAR1 (0.34) FFAR1FFAR4NCEH1ASIC3
SCHEMBL3159338 0.84 FFAR1 (0.36) FFAR1FFAR4ACACBNCEH1PTGDR2
SCHEMBL14526080 0.83 FFAR1 (0.48) FFAR1FFAR4ACACBPTGDR2
SCHEMBL7858585 0.81 FFAR1 (0.52) FFAR1FFAR4ACACB
SCHEMBL7859826 0.81 FFAR1 (0.55) FFAR1FFAR4ACACB
SCHEMBL5685108 0.80 CYP1A1 (0.39) FFAR1FFAR4ACACBCYP1A1CYP1A2
SCHEMBL3158450 0.80 FFAR1 (0.36) FFAR1FFAR4ACACB
SCHEMBL14526096 0.80 FFAR1 (0.35) FFAR1FFAR4NCEH1

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-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