SCHEMBL6569172

SCHEMBL6569172

CC/C=C/CCc1cc(F)c(C(=O)Oc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
F2 P00734 1/20 0.39
MGLL Q99685 2/20 0.39
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 3/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6569179 1.00 TP53 (0.40) TP53MAPTLMNAF2MGLL
SCHEMBL6566260 0.90 F2 (0.40) TP53MAPTLMNAF2MGLL
SCHEMBL6566264 0.90 F2 (0.40) TP53MAPTLMNAF2MGLL
SCHEMBL6569215 0.88 F2 (0.41) TP53MAPTLMNAF2MGLL
SCHEMBL6569205 0.88 F2 (0.41) TP53MAPTLMNAF2MGLL
SCHEMBL6569268 0.87 CYP11B1 (0.33) TP53MAPTLMNATHRBCYP11B1
SCHEMBL6569276 0.87 CYP11B1 (0.33) TP53MAPTLMNATHRBCYP11B1
SCHEMBL6569177 0.85 PTPN1 (0.33)
SCHEMBL6898541 0.85 PTPN1 (0.33)
SCHEMBL6567767 0.85 F2 (0.41) TP53MAPTLMNAF2MGLL

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