SCHEMBL6567305

SCHEMBL6567305

C=CCCc1cc(F)c(C(=O)Oc2ccc(C#N)c(F)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.34
TRPV4 Q9HBA0 7/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CACNA1H O95180 2/20 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
SCHEMBL6567165 0.88 DAO (0.38) DAOTRPV4FFAR1FFAR4KCNH2
SCHEMBL6567179 0.87 DAO (0.33) DAOTRPV4CYP11B1CYP11B2LMNA
SCHEMBL6567183 0.87 DAO (0.33) DAOTRPV4CYP11B1CYP11B2LMNA
SCHEMBL9164842 0.86 FFAR1 (0.35) DAOTRPV4CYP11B2FFAR1FFAR4
SCHEMBL6567767 0.86 F2 (0.41) CYP11B1CYP11B2LMNA
SCHEMBL6569276 0.86 CYP11B1 (0.33) DAOTRPV4CYP11B1CYP11B2LMNA
SCHEMBL6569268 0.86 CYP11B1 (0.33) DAOTRPV4CYP11B1CYP11B2LMNA
SCHEMBL6567948 0.85 PTPN1 (0.32) TRPV4
SCHEMBL12453678 0.85 PTPN1 (0.39) DAOTRPV4CYP11B1CYP11B2NPC1
SCHEMBL9166226 0.84 KDM1A (0.37) CYP11B1CYP11B2FFAR1FFAR4

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