SCHEMBL8616934

SCHEMBL8616934

CCC=Cc1ccc(C#Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.42
GRM5 P41594 3/20 0.40
TRPA1 O75762 1/20 0.34
FFAR1 O14842 7/20 0.33
FFAR4 Q5NUL3 4/20 0.33
TRPV3 Q8NET8 1/20 0.33
PABPC1 P11940 1/20 0.31
RAB9A P51151 1/20 0.31
EIF4H Q15056 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
SCHEMBL8616931 1.00 NFE2L2 (0.42) NFE2L2GRM5TRPA1FFAR1FFAR4
SCHEMBL8617838 0.88 NFE2L2 (0.40) NFE2L2GRM5TRPA1FFAR1FFAR4
SCHEMBL8617834 0.88 NFE2L2 (0.40) NFE2L2GRM5TRPA1FFAR1FFAR4
SCHEMBL31442880 0.84 FFAR1 (0.41) FFAR1
SCHEMBL14604964 0.81 NFE2L2 (0.57) NFE2L2TRPA1PABPC1RAB9AEIF4H
SCHEMBL27616383 0.81 NFE2L2 (0.57) NFE2L2TRPA1PABPC1RAB9AEIF4H
SCHEMBL8618416 0.79 ALDH1A1 (0.36) NFE2L2FFAR1FFAR4
SCHEMBL8618419 0.79 ALDH1A1 (0.36) NFE2L2FFAR1FFAR4
SCHEMBL8616510 0.76 CYP2A6 (0.44)
SCHEMBL8616506 0.76 CYP2A6 (0.44)

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