SCHEMBL6896414

SCHEMBL6896414

CC/C=C/CCc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAOB P27338 2/20 0.34
PARP10 Q53GL7 2/20 0.33
PARP15 Q460N3 1/20 0.33
MAOA P21397 1/20 0.33
KDM1A O60341 1/20 0.33
POLB P06746 1/20 0.33
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL6896417 1.00 DAO (0.36) DAOMAPTNPC1CASP3RAB9A
SCHEMBL6569242 0.91 DAO (0.37) DAOMAPTNPC1CASP3RAB9A
SCHEMBL6569236 0.91 DAO (0.37) DAOMAPTNPC1CASP3RAB9A
SCHEMBL6569268 0.88 CYP11B1 (0.33) DAOMAPTCACNA1HMEN1KMT2A
SCHEMBL6569276 0.88 CYP11B1 (0.33) DAOMAPTCACNA1HMEN1KMT2A
SCHEMBL6566277 0.87 MAPT (0.34) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL6569215 0.87 F2 (0.41) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL6569205 0.87 F2 (0.41) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL6566269 0.87 MAPT (0.34) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL6567165 0.86 DAO (0.38) DAOMAOBMAOAPOLB

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 6 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
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