SCHEMBL8039402

SCHEMBL8039402

CCCCCC#CCc1ccc(C#Cc2ccc(C3CCC(CC)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.45
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SPHK2 Q9NRA0 7/20 0.38
TNK2 Q07912 1/20 0.36

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
SCHEMBL8039079 0.96 SPHK1 (0.40) SPHK1FFAR1FFAR4SPHK2TNK2
SCHEMBL8029626 0.91 SPHK1 (0.44) SPHK1FFAR1FFAR4SPHK2
SCHEMBL8040910 0.91 GABRP (0.38) SPHK1SPHK2TNK2
SCHEMBL9335938 0.90 SPHK1 (0.43) SPHK1FFAR1FFAR4SPHK2TNK2
SCHEMBL8029358 0.89 SPHK1 (0.46) SPHK1FFAR1FFAR4SPHK2TNK2
SCHEMBL9335849 0.88 SPHK1 (0.45) SPHK1FFAR1FFAR4SPHK2TNK2
SCHEMBL9332960 0.88 SPHK1 (0.45) SPHK1FFAR1FFAR4SPHK2TNK2
SCHEMBL9335330 0.88 SPHK1 (0.45) SPHK1FFAR1FFAR4SPHK2TNK2
SCHEMBL8042646 0.88 CYP2C9 (0.44) SPHK1SPHK2TNK2
SCHEMBL8039289 0.85 GABRP (0.35) SPHK1

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