SCHEMBL8039084

SCHEMBL8039084

CCCCC#CCc1ccc(C#Cc2ccc(C)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.36
FFAR4 Q5NUL3 3/20 0.36
KCNH2 Q12809 5/20 0.36
TNK2 Q07912 1/20 0.36
ACACB O00763 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MMP2 P08253 1/20 0.31
MMP12 P39900 1/20 0.31
PTPN11 Q06124 1/20 0.31
PTPRO Q16827 1/20 0.31
MAPT P10636 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
SCHEMBL8042718 0.96 FFAR1 (0.41) FFAR1FFAR4KCNH2TNK2MMP2
SCHEMBL8029237 0.92 FFAR1 (0.33) FFAR1FFAR4KCNH2ACACB
SCHEMBL8042601 0.87 FFAR1 (0.37) FFAR1FFAR4KCNH2TNK2ACACB
SCHEMBL8039326 0.85 FFAR1 (0.34) FFAR1FFAR4KCNH2ACACB
SCHEMBL8041472 0.84 FFAR1 (0.42) FFAR1FFAR4TNK2
SCHEMBL8039292 0.83 FFAR1 (0.42) FFAR1FFAR4KCNH2TNK2ACACB
SCHEMBL7858953 0.82 SKP2 (0.42) FFAR1FFAR4PTPN11PTPROMAPT
SCHEMBL8046422 0.82 KCNH2 (0.40) FFAR1FFAR4KCNH2TNK2
SCHEMBL7859879 0.81 HSD17B10 (0.45) FFAR1FFAR4PTPN11PTPROMAPT
SCHEMBL8039958 0.81 FFAR1 (0.35) FFAR1FFAR4ACACB

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