SCHEMBL8979153

SCHEMBL8979153

CCc1ccc(C#Cc2cc(F)c(C#Cc3ccc(C)cc3)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.41
CYP2A6 P11509 1/20 0.39
KCNH2 Q12809 2/20 0.38
ACACB O00763 3/20 0.36
GRM5 P41594 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
GRM4 Q14833 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
RET P07949 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL8979137 1.00 FFAR1 (0.41) FFAR1CYP2A6KCNH2ACACBGRM5
SCHEMBL8979061 0.93 CYP2A6 (0.44) FFAR1CYP2A6ACACBEGLN1RET
SCHEMBL8979109 0.88 GRM5 (0.44) FFAR1CYP2A6KCNH2GRM5CA12
SCHEMBL8978909 0.88 FFAR1 (0.45) FFAR1CYP2A6KCNH2ACACBGRM5
SCHEMBL8978868 0.88 FFAR1 (0.45) FFAR1CYP2A6KCNH2ACACBGRM5
SCHEMBL23600265 0.86 FFAR1 (0.36) FFAR1CYP2A6KCNH2ACACBGRM5
SCHEMBL8978971 0.86 ACACB (0.40) FFAR1CYP2A6ACACBFFAR4
SCHEMBL14773005 0.86 CYP2A6 (0.38) FFAR1CYP2A6KCNH2ACACBEGLN1
SCHEMBL8978833 0.86 ACACB (0.40) FFAR1CYP2A6ACACBFFAR4
SCHEMBL8979129 0.86 CYP2A6 (0.59) FFAR1CYP2A6ACACB

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