SCHEMBL8046316

SCHEMBL8046316

CCCCC#CCC1CCC(c2ccc(C#Cc3ccc(CC)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.39
TNK2 Q07912 1/20 0.38
SPHK2 Q9NRA0 7/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL8042617 0.96 SPHK1 (0.44) SPHK1TNK2SPHK2FFAR1FFAR4
SCHEMBL8040078 0.91 SPHK1 (0.44) SPHK1TNK2SPHK2FFAR1FFAR4
SCHEMBL8041212 0.89 FFAR1 (0.37) SPHK1TNK2FFAR1
SCHEMBL8040931 0.88 SPHK1 (0.49) SPHK1SPHK2FFAR1FFAR4
SCHEMBL8040112 0.87 GABRP (0.35) SPHK1
SCHEMBL8041213 0.85 SPHK1 (0.39) SPHK1SPHK2FFAR1FFAR4
SCHEMBL8040935 0.84 ACACB (0.36) SPHK1
SCHEMBL8039079 0.84 SPHK1 (0.40) SPHK1TNK2SPHK2FFAR1FFAR4
SCHEMBL8029167 0.84 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL8042646 0.82 CYP2C9 (0.44) SPHK1TNK2SPHK2

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