SCHEMBL8039255

SCHEMBL8039255

CCCC#CCCCc1ccc(C#Cc2ccc(C3CCC(C)CC3)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.33
FFAR1 O14842 1/20 0.33
TNK2 Q07912 1/20 0.32
PANK3 Q9H999 4/20 0.32
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
ACACB O00763 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

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
SCHEMBL8046320 0.94 FFAR4 (0.33) FFAR4FFAR1PANK3
SCHEMBL8038707 0.90 CYP2D6 (0.32) PANK3CYP2D6HRH3
SCHEMBL8029228 0.83 FFAR1 (0.30) FFAR1
SCHEMBL8039827 0.79 PANK3 (0.31) FFAR1PANK3
SCHEMBL8042748 0.79 OPRL1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8042696 0.77 OPRL1 (0.35) TNK2
SCHEMBL8046434 0.77 TNK2 (0.30) TNK2GABRPGABRDGABRA1GABRB1
SCHEMBL15495103 0.76 SPHK1 (0.38) PANK3SPHK1
SCHEMBL8040832 0.76 TNK2 (0.35) FFAR4FFAR1TNK2
SCHEMBL8041002 0.75 FFAR1 (0.36) FFAR4FFAR1TNK2SPHK1

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