SCHEMBL6569215

SCHEMBL6569215

CCC=CCCc1ccc(C(=O)Oc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MGLL Q99685 2/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 1/20 0.37
THRB P10828 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL6569205 1.00 F2 (0.41) F2MAPTTP53LMNARAB9A
SCHEMBL6567227 0.90 F2 (0.42) F2MAPTTP53LMNARAB9A
SCHEMBL6567219 0.90 F2 (0.42) F2MAPTTP53LMNARAB9A
SCHEMBL6569179 0.88 TP53 (0.40) F2MAPTTP53LMNARAB9A
SCHEMBL6569172 0.88 TP53 (0.40) F2MAPTTP53LMNARAB9A
SCHEMBL6896417 0.87 DAO (0.36) MAPTRAB9ASMN1; SMN2NPC1CASP3
SCHEMBL6896414 0.87 DAO (0.36) MAPTRAB9ASMN1; SMN2NPC1CASP3
SCHEMBL6566269 0.87 MAPT (0.34) MAPTRAB9ASMN1; SMN2NPC1CASP3
SCHEMBL6566277 0.87 MAPT (0.34) MAPTRAB9ASMN1; SMN2NPC1CASP3
SCHEMBL6566252 0.85 F2 (0.43) F2MAPTTP53LMNARAB9A

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