SCHEMBL7861689

SCHEMBL7861689

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(CC)c(F)c3F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.45
ACACB O00763 4/20 0.42
FFAR4 Q5NUL3 2/20 0.37
CHRM2 P08172 1/20 0.37
S1PR1 P21453 1/20 0.37
FPR1 P21462 1/20 0.37
FPR3 P25089 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GPR65 Q8IYL9 1/20 0.37

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
SCHEMBL7851732 0.92 FFAR1 (0.40) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL7851693 0.91 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL7859874 0.90 HSD17B10 (0.46) FFAR1FFAR4CHRM2
SCHEMBL7857701 0.89 FFAR1 (0.41) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL7857668 0.89 HSD17B10 (0.48) FFAR1FFAR4CHRM2
SCHEMBL7859851 0.89 HSD17B10 (0.48) FFAR1FFAR4CHRM2
SCHEMBL7858729 0.88 FFAR1 (0.37) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL7859866 0.88 FFAR1 (0.39) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL7861635 0.87 HSD17B10 (0.42) FFAR1ACACBFFAR4CHRM2
SCHEMBL10302762 0.86 FFAR1 (0.40) FFAR1ACACBFFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6168728-B1 OPTICS WITH HIGH ANISOTROPIC VALUE CHISSO CORPORATION (JP) 2001-01-02 US disclosed
EP-0968988-A1 ACETYLENE DERIVATIVES, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING THE SAME CHISSO CORPORATION (JP) 2000-01-05 EP disclosed