SCHEMBL8622908

SCHEMBL8622908

CCCC=Cc1ccc(C#Cc2ccc(/C=C/CCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
TNNC1 P63316 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
KCNH2 Q12809 2/20 0.33
RELA Q04206 1/20 0.33
TLR8 Q9NR97 1/20 0.33
AHR P35869 1/20 0.32
APP P05067 1/20 0.31

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
SCHEMBL8622912 1.00 FFAR1 (0.43) FFAR1TNNC1SIGMAR1KCNH2RELA
SCHEMBL9048231 0.92 FFAR1 (0.37) FFAR1TNNC1SIGMAR1KCNH2RELA
SCHEMBL9048225 0.92 FFAR1 (0.37) FFAR1TNNC1SIGMAR1KCNH2RELA
SCHEMBL8620908 0.91 NFE2L2 (0.41) FFAR1APP
SCHEMBL8620912 0.91 NFE2L2 (0.41) FFAR1APP
SCHEMBL8623756 0.91 CHRNA7 (0.38) FFAR1
SCHEMBL8623754 0.91 CHRNA7 (0.38) FFAR1
SCHEMBL8623114 0.91 CYP2A6 (0.41) FFAR1
SCHEMBL8623117 0.91 CYP2A6 (0.41) FFAR1
SCHEMBL8617781 0.89 GABRP (0.38) FFAR1TNNC1KCNH2

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-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed