SCHEMBL7858970

SCHEMBL7858970

Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)c(F)c3)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.39
FFAR4 Q5NUL3 4/20 0.39
GRM5 P41594 5/20 0.38
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
KCNH2 Q12809 1/20 0.36
ACACB O00763 1/20 0.35
NR3C2 P08235 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
SCHEMBL7851710 1.00 FFAR1 (0.39) FFAR1FFAR4GRM5CA12CA2
SCHEMBL7851785 0.95 FFAR1 (0.40) FFAR1FFAR4GRM5CA12CA2
SCHEMBL10018719 0.93 FFAR1 (0.39) FFAR1FFAR4GRM5ACACBNR3C2
SCHEMBL8979134 0.93 GRM5 (0.42) FFAR1FFAR4GRM5CA12CA2
SCHEMBL7857769 0.91 GRM5 (0.44) FFAR1FFAR4GRM5CA12CA2
SCHEMBL10018714 0.91 GRM5 (0.44) FFAR1FFAR4GRM5CA12CA2
SCHEMBL10091204 0.86 FFAR1 (0.49) FFAR1FFAR4GRM5CA12CA2
SCHEMBL10018724 0.85 GRM5 (0.42) FFAR1FFAR4GRM5CA12CA2
SCHEMBL7858588 0.85 GRM5 (0.42) FFAR1FFAR4GRM5CA12CA2
SCHEMBL7859984 0.85 GRM5 (0.43) FFAR1FFAR4GRM5CA12CA2

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