SCHEMBL6567767

SCHEMBL6567767

C=CCCc1cc(F)c(C(=O)Oc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.36
MGLL Q99685 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 3/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CYP11B2 P19099 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL6566252 0.87 F2 (0.43) F2POLBMAPTTP53LMNA
SCHEMBL6567305 0.86 DAO (0.34) LMNACYP11B1CYP11B2
SCHEMBL6566264 0.86 F2 (0.40) F2POLBMAPTTP53LMNA
SCHEMBL6566260 0.86 F2 (0.40) F2POLBMAPTTP53LMNA
SCHEMBL6569172 0.85 TP53 (0.40) F2POLBMAPTTP53LMNA
SCHEMBL6569179 0.85 TP53 (0.40) F2POLBMAPTTP53LMNA
SCHEMBL8357980 0.85 F2 (0.37) F2POLBMAPTTP53LMNA
SCHEMBL6567948 0.84 PTPN1 (0.32)
SCHEMBL8913334 0.80 F2 (0.48) F2POLBMAPTTHRBPARP15
SCHEMBL13671366 0.77 TP53 (0.50) F2POLBMAPTTP53LMNA

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