SCHEMBL8618031

SCHEMBL8618031

CCCC=Cc1ccc(C#Cc2ccc(C#N)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.38
P4HB P07237 3/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
CYP2A6 P11509 1/20 0.32
ACACB O00763 1/20 0.32
GRM5 P41594 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 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
SCHEMBL8618028 1.00 HAO1 (0.38) HAO1P4HBFFAR1FFAR4CYP2A6
SCHEMBL8620757 0.91 TRPV4 (0.35) HAO1FFAR1FFAR4GRM5
SCHEMBL8620753 0.91 TRPV4 (0.35) HAO1FFAR1FFAR4GRM5
SCHEMBL8618581 0.90 GRM5 (0.35) FFAR1FFAR4ACACBGRM5
SCHEMBL8618584 0.90 GRM5 (0.35) FFAR1FFAR4ACACBGRM5
SCHEMBL8619128 0.86 FFAR1 (0.39) FFAR1FFAR4ACACB
SCHEMBL8619124 0.86 FFAR1 (0.39) FFAR1FFAR4ACACB
SCHEMBL8616906 0.86 TRPV4 (0.36) P4HBFFAR1FFAR4
SCHEMBL8621577 0.86 NFE2L2 (0.39) FFAR1FFAR4ACACBGRM5
SCHEMBL8616904 0.86 TRPV4 (0.36) P4HBFFAR1FFAR4

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