SCHEMBL6569242

SCHEMBL6569242

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
MAOB P27338 2/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
TMPRSS15 P98073 1/20 0.34
MAOA P21397 1/20 0.34
CACNA1H O95180 3/20 0.34
MAPT P10636 2/20 0.33
KDM1A O60341 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL6569236 1.00 DAO (0.37) DAOMAOBFFAR1FFAR4TMPRSS15
SCHEMBL6896417 0.91 DAO (0.36) DAOMAOBMAOACACNA1HMAPT
SCHEMBL6896414 0.91 DAO (0.36) DAOMAOBMAOACACNA1HMAPT
SCHEMBL8048275 0.88 FFAR1 (0.36) FFAR1FFAR4KDM1ANPC1RAB9A
SCHEMBL6567179 0.88 DAO (0.33) DAOFFAR1FFAR4CACNA1HMAPT
SCHEMBL6567183 0.88 DAO (0.33) DAOFFAR1FFAR4CACNA1HMAPT
SCHEMBL6567165 0.87 DAO (0.38) DAOMAOBFFAR1FFAR4TMPRSS15
SCHEMBL6567219 0.87 F2 (0.42) FFAR1FFAR4TMPRSS15MAPTPOLB
SCHEMBL6567227 0.87 F2 (0.42) FFAR1FFAR4TMPRSS15MAPTPOLB
SCHEMBL6567224 0.87 MAOB (0.34) MAOBTMPRSS15MAOAMAPTNPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1176898-C Fluoro 4-alkene-benzoic acid and its derivative, nematic liquid crystal composition and liquid crystal display using this composition 大日本油墨化学工业株式会社 2004-11-24 CN disclosed
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
CN-1227838-A Fluoro 4-alkene-benzoic acid and its derivative, nematic liquid crystal composition and liquid crystal display using this composition DAINIPPON INK & CHEMICALS (JP) 1999-09-08 CN 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