SCHEMBL8040883

SCHEMBL8040883

CCC#CCc1ccc(C#Cc2cc(F)c(-c3ccc(C)cc3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.35
KCNH2 Q12809 3/20 0.35
GRM5 P41594 1/20 0.34
ACACB O00763 2/20 0.32
ADK P55263 2/20 0.32
GRM4 Q14833 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8041001 0.90 KCNH2 (0.36) FFAR1KCNH2GRM5ACACBADK
SCHEMBL8039120 0.88 ACACB (0.38) FFAR1ACACBMEN1ALDH1A1MAPT
SCHEMBL8039112 0.88 FFAR1 (0.37) FFAR1KCNH2GRM5ACACBADK
SCHEMBL8042875 0.87 KCNH2 (0.40) FFAR1KCNH2GRM5ADK
SCHEMBL8040080 0.86 KCNH2 (0.41) FFAR1KCNH2GRM5ALDH1A1MAPT
SCHEMBL8029151 0.83 ACACB (0.35) FFAR1KCNH2ACACB
SCHEMBL8039326 0.79 FFAR1 (0.34) FFAR1KCNH2GRM5ACACB
SCHEMBL8046312 0.77 FFAR1 (0.35) FFAR1ACACBMEN1ALDH1A1MAPT
SCHEMBL8040988 0.76 FFAR1 (0.41) FFAR1ACACB
SCHEMBL8046384 0.75 KCNH2 (0.36) FFAR1KCNH2GRM5

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