SCHEMBL8041227

SCHEMBL8041227

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.53
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL8029625 0.95 ACACB (0.50) ACACBLMNAL3MBTL1ALDH1A1
SCHEMBL8039067 0.87 ACACB (0.52) ACACBLMNAL3MBTL1LTA4HHTT
SCHEMBL8039365 0.85 ACACB (0.51) ACACBLMNAL3MBTL1LTA4HHTT
SCHEMBL3434851 0.84 ACACB (0.57) ACACBL3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL16706066 0.84 ACACB (0.57) ACACBL3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL8042591 0.83 ACACB (0.49) ACACBLMNAL3MBTL1CHRNB2CHRNB4
SCHEMBL23060447 0.82 ACACB (0.50) ACACBL3MBTL1LTA4HCHRNB2CHRNB4
SCHEMBL8041089 0.81 ACACB (0.48) ACACBLMNAL3MBTL1
SCHEMBL8046443 0.81 APP (0.58) ACACBLTA4H
SCHEMBL13433661 0.81 ACACB (0.64) ACACBLMNAL3MBTL1ALDH1A1

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