SCHEMBL6567179

SCHEMBL6567179

C/C=C/CCc1cc(F)c(C(=O)Oc2ccc(C#N)c(F)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
CACNA1H O95180 8/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6567183 1.00 DAO (0.33) DAOCACNA1HFFAR1FFAR4CYP11B1
SCHEMBL6569276 0.90 CYP11B1 (0.33) DAOCACNA1HCYP11B1CYP11B2TRPV4
SCHEMBL6569268 0.90 CYP11B1 (0.33) DAOCACNA1HCYP11B1CYP11B2TRPV4
SCHEMBL6569236 0.88 DAO (0.37) DAOCACNA1HFFAR1FFAR4MAPT
SCHEMBL6569242 0.88 DAO (0.37) DAOCACNA1HFFAR1FFAR4MAPT
SCHEMBL8048275 0.87 FFAR1 (0.36) FFAR1FFAR4CYP11B1CYP11B2TRPV4
SCHEMBL6566264 0.87 F2 (0.40) FFAR1FFAR4CYP11B1CYP11B2ALDH1A1
SCHEMBL6566260 0.87 F2 (0.40) FFAR1FFAR4CYP11B1CYP11B2ALDH1A1
SCHEMBL6567305 0.87 DAO (0.34) DAOCACNA1HFFAR1FFAR4CYP11B1
SCHEMBL6567821 0.85 PTPN1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0919536-B1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK & CHEMICALS (JP) 2004-04-07 EP disclosed
US-6693223-B1 STRONG POLAR COMPOUND HAVING LARGE DIELECTRIC ANISOTROPY; EXERTS EXCELLENT THRESHOLD VOLTAGE REDUCING EFFECT; EXCELLENT MISCIBILITY WITH CONVENTIONAL LIQUID CRYSTAL MATERIALS DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-02-17 US disclosed
US-20020053659-A1 Fluorine-substituted-4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-09 US disclosed
US-6287646-B1 MIXTURES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-09-11 US disclosed
EP-0919536-A1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-06-02 EP disclosed