SCHEMBL8046422

SCHEMBL8046422

CCCCC#CCc1ccc(C#Cc2ccc(-c3ccc(C)cc3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
RARB P10826 1/20 0.38
TNK2 Q07912 1/20 0.34
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
GRM5 P41594 2/20 0.32
BACE1 P56817 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8046478 0.96 KCNH2 (0.40) KCNH2RARBTNK2FFAR1FFAR4
SCHEMBL8046384 0.93 KCNH2 (0.36) KCNH2RARBFFAR1FFAR4GRM5
SCHEMBL8042603 0.91 RARB (0.43) RARBTNK2FFAR1FFAR4GRM5
SCHEMBL8042875 0.87 KCNH2 (0.40) KCNH2TNK2FFAR1FFAR4GRM5
SCHEMBL8046343 0.85 KCNH2 (0.49) KCNH2TNK2FFAR1FFAR4GRM5
SCHEMBL8041046 0.84 FFAR1 (0.35) FFAR1FFAR4GRM5BACE1PDE3B
SCHEMBL8040080 0.83 KCNH2 (0.41) KCNH2RARBTNK2FFAR1FFAR4
SCHEMBL8046363 0.83 KCNH2 (0.53) KCNH2TNK2FFAR1FFAR4GRM5
SCHEMBL8046456 0.83 RARB (0.39) RARBFFAR1FFAR4GRM5
SCHEMBL8039084 0.82 FFAR1 (0.36) KCNH2TNK2FFAR1FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed