SCHEMBL8616932

SCHEMBL8616932

CC=CCc1ccc(C#Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
FFAR1 O14842 11/20 0.38
FFAR4 Q5NUL3 7/20 0.38
PLAU P00749 2/20 0.35
ASIC3 Q9UHC3 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
TSPO P30536 1/20 0.33
ADORA1 P30542 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL8618418 0.82 FFAR1 (0.33) FFAR1FFAR4PLAUACACB
SCHEMBL16726799 0.79 FFAR1 (0.32) FFAR1FFAR4PLAUASIC3
SCHEMBL12736435 0.78 CYP2A6 (0.45) GRM5FFAR1FFAR4ASIC3TRPV3
SCHEMBL16726798 0.77 FFAR1 (0.36) FFAR1PLAUASIC3
SCHEMBL8616508 0.76 LOXL2 (0.48) FFAR1
SCHEMBL7861686 0.75 ACACB (0.43) GRM5FFAR1FFAR4PLAUACACB
SCHEMBL12736440 0.75 ACACB (0.43) GRM5FFAR1FFAR4PLAUACACB
SCHEMBL9508806 0.73 GRM5 (0.41) GRM5FFAR1FFAR4TRPV3ACACB
SCHEMBL14228694 0.71 GRM5 (0.49) GRM5FFAR1FFAR4
SCHEMBL14525802 0.71 HSD17B10 (0.47) FFAR1FFAR4ADRA2AADRA2B

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