SCHEMBL6567224

SCHEMBL6567224

C/C=C/CCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.34
TMPRSS15 P98073 1/20 0.33
MAOA P21397 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SRD5A2 P31213 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
SCHEMBL6567232 1.00 MAOB (0.34) MAOBTMPRSS15MAOAGPR52NPC1
SCHEMBL6566269 0.90 MAPT (0.34) MAOBMAOAGPR52NPC1MAPT
SCHEMBL6566277 0.90 MAPT (0.34) MAOBMAOAGPR52NPC1MAPT
SCHEMBL8042756 0.88 GPR52 (0.34) MAOBMAOAGPR52MAPTSMN1; SMN2
SCHEMBL8042758 0.88 GPR52 (0.34) MAOBMAOAGPR52MAPTSMN1; SMN2
SCHEMBL18540061 0.87 MAPT (0.43) MAOBTMPRSS15MAOAGPR52NPC1
SCHEMBL6569236 0.87 DAO (0.37) MAOBTMPRSS15MAOANPC1MAPT
SCHEMBL6569242 0.87 DAO (0.37) MAOBTMPRSS15MAOANPC1MAPT
SCHEMBL6567227 0.87 F2 (0.42) TMPRSS15NPC1MAPTCASP3RAB9A
SCHEMBL6567219 0.87 F2 (0.42) TMPRSS15NPC1MAPTCASP3RAB9A

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-114507159-B Preparation method of 4- [3 (E) -pentene-1-yl ] benzoate liquid crystal monomer 中节能万润股份有限公司 2024-05-03 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
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