SCHEMBL8620908

SCHEMBL8620908

CCC/C=C/c1ccc(C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.41
TRPA1 O75762 3/20 0.41
APP P05067 1/20 0.38
FFAR1 O14842 2/20 0.38
MAOB P27338 1/20 0.36
HSD11B1 P28845 1/20 0.35
NQO2 P16083 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL8620912 1.00 NFE2L2 (0.41) NFE2L2TRPA1APPFFAR1MAOB
SCHEMBL8622912 0.91 FFAR1 (0.43) APPFFAR1
SCHEMBL8622908 0.91 FFAR1 (0.43) APPFFAR1
SCHEMBL25856442 0.89 NFE2L2 (0.50) NFE2L2TRPA1APPHSD11B1NQO2
SCHEMBL8618581 0.85 GRM5 (0.35) NFE2L2TRPA1FFAR1GRM5
SCHEMBL8618584 0.85 GRM5 (0.35) NFE2L2TRPA1FFAR1GRM5
SCHEMBL8617838 0.84 NFE2L2 (0.40) NFE2L2TRPA1FFAR1GRM5
SCHEMBL8621475 0.84 FFAR1 (0.34) NFE2L2FFAR1
SCHEMBL8621471 0.84 FFAR1 (0.34) NFE2L2FFAR1
SCHEMBL8617834 0.84 NFE2L2 (0.40) NFE2L2TRPA1FFAR1GRM5

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