SCHEMBL8029233

SCHEMBL8029233

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.35
SPHK1 Q9NYA1 6/20 0.34
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
SPHK2 Q9NRA0 2/20 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
SCHEMBL8039199 0.90 SPHK1 (0.34) ACACBSPHK1CARM1PRMT6SPHK2
SCHEMBL8039352 0.89 GABRP (0.35) ACACBSPHK1CARM1PRMT6
SCHEMBL8039114 0.84 ACACB (0.36) ACACBSPHK1
SCHEMBL8039186 0.81 CYP2C9 (0.47) ACACBSPHK1SPHK2
SCHEMBL8041060 0.80 ACACB (0.37) ACACBSPHK1
SCHEMBL8040154 0.80 ESR2 (0.45) ACACBSPHK1
SCHEMBL8029221 0.78 SPHK1 (0.42) SPHK1SPHK2
SCHEMBL11618676 0.77 GRIA1 (0.42)
SCHEMBL8042560 0.77 SPHK1 (0.44) SPHK1SPHK2
SCHEMBL8040106 0.76 GABRP (0.36) ACACBSPHK1SPHK2

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