SCHEMBL20004752

SCHEMBL20004752

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
PTGES O14684 1/20 0.33
GRM5 P41594 1/20 0.33
FFAR1 O14842 3/20 0.33
PDE2A O00408 1/20 0.33
ACACB O00763 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GRIN2B Q13224 1/20 0.32
KIF11 P52732 1/20 0.32
P2RY6 Q15077 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL20004839 0.82 GRM5 (0.34) EGLN1GRM5FFAR1ACACBFFAR4
SCHEMBL19999371 0.81 PTGES (0.35) PTGDR2EGLN1PTGESFFAR1ACACB
SCHEMBL20004754 0.78 ACACB (0.40) ACACB
SCHEMBL20006846 0.78 FFAR1 (0.38) GRM5FFAR1ACACBFFAR4
SCHEMBL10018723 0.71 GRM5 (0.44) GRM5FFAR1
SCHEMBL19999528 0.71 RARB (0.38) FFAR1ACACBFFAR4
SCHEMBL8755796 0.71 MAOB (0.41) PTGESFFAR1FFAR4KIF11
SCHEMBL10300108 0.71 KIF11 (0.47) PTGDR2GRM5FFAR1KIF11CYP1A1
SCHEMBL10300065 0.71 KIF11 (0.47) PTGDR2GRM5FFAR1KIF11CYP1A1
SCHEMBL14997641 0.71 KIF11 (0.47) PTGDR2GRM5FFAR1KIF11CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed