SCHEMBL8039079

SCHEMBL8039079

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.40
TNK2 Q07912 1/20 0.39
SPHK2 Q9NRA0 7/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CYP2C9 P11712 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
SCHEMBL8039402 0.96 SPHK1 (0.45) SPHK1TNK2SPHK2FFAR1FFAR4
SCHEMBL8040910 0.92 GABRP (0.38) SPHK1TNK2SPHK2CYP2C9
SCHEMBL8042646 0.91 CYP2C9 (0.44) SPHK1TNK2SPHK2CYP2C9
SCHEMBL9332549 0.89 GABRP (0.42) SPHK1TNK2FFAR1FFAR4CYP2C9
SCHEMBL8039211 0.88 SPHK1 (0.41) SPHK1TNK2SPHK2FFAR1FFAR4
SCHEMBL8029626 0.88 SPHK1 (0.44) SPHK1SPHK2FFAR1FFAR4CYP2C9
SCHEMBL8039289 0.87 GABRP (0.35) SPHK1CYP2C9
SCHEMBL9335938 0.85 SPHK1 (0.43) SPHK1TNK2SPHK2FFAR1FFAR4
SCHEMBL8042940 0.85 SPHK1 (0.39) SPHK1TNK2SPHK2FFAR1FFAR4
SCHEMBL8029358 0.85 SPHK1 (0.46) SPHK1TNK2SPHK2FFAR1FFAR4

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