SCHEMBL8039140

SCHEMBL8039140

CCCC#CCc1ccc(C#Cc2cc(F)c(C)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
FFAR1 O14842 4/20 0.33
KCNH2 Q12809 2/20 0.33
FFAR4 Q5NUL3 2/20 0.31
TNK2 Q07912 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 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
SCHEMBL8042601 0.91 FFAR1 (0.37) ACACBFFAR1KCNH2FFAR4TNK2
SCHEMBL8039292 0.90 FFAR1 (0.42) ACACBFFAR1KCNH2FFAR4TNK2
SCHEMBL8029151 0.88 ACACB (0.35) ACACBFFAR1KCNH2FFAR4
SCHEMBL8029237 0.87 FFAR1 (0.33) ACACBFFAR1KCNH2FFAR4
SCHEMBL8046324 0.85 FFAR1 (0.40) ACACBFFAR1FFAR4
SCHEMBL8041001 0.84 KCNH2 (0.36) ACACBFFAR1KCNH2
SCHEMBL8041509 0.83 FFAR1 (0.39) ACACBFFAR1FFAR4
SCHEMBL8039280 0.81 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL8042902 0.80 KCNH2 (0.47) ACACBFFAR1KCNH2
SCHEMBL8046384 0.80 KCNH2 (0.36) FFAR1KCNH2FFAR4

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