SCHEMBL20006846

SCHEMBL20006846

CCc1cc(C#Cc2ccc(C)cc2)cc(F)c1C#Cc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.38
FFAR4 Q5NUL3 6/20 0.38
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
GRM5 P41594 1/20 0.36
KCNH2 Q12809 2/20 0.34
GRM4 Q14833 1/20 0.34
ACACB O00763 2/20 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
SCHEMBL20005184 0.90 FFAR1 (0.43) FFAR1FFAR4ACACB
SCHEMBL8979109 0.84 GRM5 (0.44) FFAR1FFAR4CA12CA2CA9
SCHEMBL8979153 0.84 FFAR1 (0.41) FFAR1FFAR4CA12CA2CA9
SCHEMBL8979137 0.84 FFAR1 (0.41) FFAR1FFAR4CA12CA2CA9
SCHEMBL7857730 0.81 FFAR1 (0.50) FFAR1FFAR4CA12CA2CA9
SCHEMBL12700668 0.80 GRM5 (0.40) FFAR1FFAR4CA12CA2CA9
SCHEMBL20004839 0.79 GRM5 (0.34) FFAR1FFAR4GRM5ACACB
SCHEMBL19999455 0.79 NPC1 (0.40) FFAR1FFAR4ACACB
SCHEMBL8978909 0.78 FFAR1 (0.45) FFAR1GRM5KCNH2ACACB
SCHEMBL8978868 0.78 FFAR1 (0.45) FFAR1GRM5KCNH2ACACB

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-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed