SCHEMBL8046478

SCHEMBL8046478

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
RARB P10826 2/20 0.40
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 2/20 0.37
GRM5 P41594 1/20 0.32
TNK2 Q07912 1/20 0.32
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RORC P51449 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
SCHEMBL8046422 0.96 KCNH2 (0.40) KCNH2RARBFFAR1FFAR4GRM5
SCHEMBL8046384 0.92 KCNH2 (0.36) KCNH2RARBFFAR1FFAR4GRM5
SCHEMBL8042603 0.87 RARB (0.43) RARBFFAR1FFAR4GRM5TNK2
SCHEMBL8040080 0.87 KCNH2 (0.41) KCNH2RARBFFAR1FFAR4GRM5
SCHEMBL8039093 0.85 KCNH2 (0.49) KCNH2FFAR1FFAR4TNK2MMP2
SCHEMBL8046345 0.83 KCNH2 (0.52) KCNH2FFAR1FFAR4GRM5TNK2
SCHEMBL8042875 0.83 KCNH2 (0.40) KCNH2FFAR1FFAR4GRM5TNK2
SCHEMBL8041046 0.83 FFAR1 (0.35) FFAR1FFAR4GRM5
SCHEMBL8042718 0.83 FFAR1 (0.41) KCNH2FFAR1FFAR4TNK2MMP2
SCHEMBL8029381 0.82 RARB (0.51) RARBFFAR1FFAR4TSHRHSD17B10

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