SCHEMBL8618581

SCHEMBL8618581

CCC/C=C/c1ccc(C#Cc2ccc(F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ACACB O00763 1/20 0.33
NR3C2 P08235 1/20 0.32
TRPA1 O75762 1/20 0.31
NFE2L2 Q16236 7/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8618584 1.00 GRM5 (0.35) GRM5FFAR1FFAR4ACACBNR3C2
SCHEMBL8618028 0.90 HAO1 (0.38) GRM5FFAR1FFAR4ACACB
SCHEMBL8618031 0.90 HAO1 (0.38) GRM5FFAR1FFAR4ACACB
SCHEMBL8619128 0.88 FFAR1 (0.39) FFAR1FFAR4ACACB
SCHEMBL8619124 0.88 FFAR1 (0.39) FFAR1FFAR4ACACB
SCHEMBL8621577 0.88 NFE2L2 (0.39) GRM5FFAR1FFAR4ACACBTRPA1
SCHEMBL8621573 0.88 NFE2L2 (0.39) GRM5FFAR1FFAR4ACACBTRPA1
SCHEMBL8616498 0.86 FFAR1 (0.36) GRM5FFAR1FFAR4ACACBNFE2L2
SCHEMBL8616501 0.86 FFAR1 (0.36) GRM5FFAR1FFAR4ACACBNFE2L2
SCHEMBL8620757 0.86 TRPV4 (0.35) GRM5FFAR1FFAR4

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