SCHEMBL6567165

SCHEMBL6567165

C=CCCc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.38
TRPV4 Q9HBA0 1/20 0.34
MAOB P27338 2/20 0.34
SRD5A2 P31213 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
POLB P06746 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TMPRSS15 P98073 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL6567305 0.88 DAO (0.34) DAOTRPV4KCNH2FFAR1FFAR4
SCHEMBL9164842 0.88 FFAR1 (0.35) DAOTRPV4FFAR1FFAR4
SCHEMBL6569236 0.87 DAO (0.37) DAOMAOBFFAR1FFAR4POLB
SCHEMBL6569242 0.87 DAO (0.37) DAOMAOBFFAR1FFAR4POLB
SCHEMBL6566252 0.86 F2 (0.43) SRD5A2FFAR1FFAR4POLBTMPRSS15
SCHEMBL6566180 0.86 MAOB (0.33) TRPV4MAOBSRD5A2TMPRSS15MAOA
SCHEMBL19372761 0.86 DAO (0.41) DAOTRPV4MAOBSRD5A2KCNJ1
SCHEMBL6896414 0.86 DAO (0.36) DAOMAOBPOLBMAOA
SCHEMBL6896417 0.86 DAO (0.36) DAOMAOBPOLBMAOA
SCHEMBL9166226 0.85 KDM1A (0.37) FFAR1FFAR4

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