SCHEMBL8042718

SCHEMBL8042718

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KCNH2 Q12809 7/20 0.36
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
TNK2 Q07912 1/20 0.33
PTPN11 Q06124 1/20 0.32
PTPRO Q16827 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL8039084 0.96 FFAR1 (0.36) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL8029237 0.90 FFAR1 (0.33) FFAR1FFAR4KCNH2
SCHEMBL8039292 0.88 FFAR1 (0.42) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL8039326 0.84 FFAR1 (0.34) FFAR1FFAR4KCNH2
SCHEMBL8042601 0.83 FFAR1 (0.37) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL7859879 0.83 HSD17B10 (0.45) FFAR1FFAR4PTPN11PTPROTRPV1
SCHEMBL8046478 0.83 KCNH2 (0.40) FFAR1FFAR4KCNH2MMP2MMP12
SCHEMBL7858556 0.82 HSD17B10 (0.48) FFAR1FFAR4PTPN11PTPROTRPV1
SCHEMBL7857647 0.82 HSD17B10 (0.48) FFAR1FFAR4PTPN11PTPROTRPV1
SCHEMBL7858953 0.81 SKP2 (0.42) FFAR1FFAR4PTPN11PTPRO

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