SCHEMBL8979109

SCHEMBL8979109

Cc1ccc(C#Cc2cc(F)c(C#Cc3ccc(C)cc3)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
ACHE P22303 1/20 0.37
FFAR1 O14842 5/20 0.37
GRM4 Q14833 2/20 0.36
FFAR4 Q5NUL3 2/20 0.35
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL10018723 0.92 GRM5 (0.44) GRM5CA12CA2CA9CA1
SCHEMBL8978883 0.91 CYP2A6 (0.55) GRM5CA12CA2CA9CA1
SCHEMBL12700668 0.90 GRM5 (0.40) GRM5CA12CA2CA9CA1
SCHEMBL8979153 0.88 FFAR1 (0.41) GRM5CA12CA2CA9CA1
SCHEMBL8979137 0.88 FFAR1 (0.41) GRM5CA12CA2CA9CA1
SCHEMBL9293057 0.86 ALDH1A1 (0.48) GRM5CA12CA2CA9CA1
SCHEMBL14884228 0.86 FFAR1 (0.35) GRM5CA12CA2CA9CA1
SCHEMBL91864 0.86 GRM5 (0.40) GRM5CA12CA2CA9CA1
SCHEMBL8978909 0.85 FFAR1 (0.45) GRM5KCNH2CYP2A6FFAR1
SCHEMBL8978868 0.85 FFAR1 (0.45) GRM5KCNH2CYP2A6FFAR1

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-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 EP disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 EP disclosed