SCHEMBL20004839

SCHEMBL20004839

CCc1cc(C)cc(F)c1C#Cc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.34
FFAR1 O14842 4/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ACACB O00763 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 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
SCHEMBL20004752 0.82 IDH1 (0.36) GRM5FFAR1FFAR4ACACBEGLN1
SCHEMBL14773005 0.81 CYP2A6 (0.38) FFAR1PIK3CAMTORACACBEGLN1
SCHEMBL19999391 0.80 RARB (0.36) FFAR1FFAR4ACACBRARARARB
SCHEMBL20004754 0.80 ACACB (0.40) ACACBKDM4ERARARARB
SCHEMBL20006846 0.79 FFAR1 (0.38) GRM5FFAR1FFAR4ACACB
SCHEMBL91864 0.78 GRM5 (0.40) GRM5FFAR1
SCHEMBL19999429 0.78 RARB (0.43) FFAR1RARARARBRARG
SCHEMBL19999528 0.77 RARB (0.38) FFAR1FFAR4ACACBRARB
SCHEMBL19920850 0.77 GABRA1 (0.33) GRM5
SCHEMBL19999455 0.77 NPC1 (0.40) FFAR1FFAR4ACACB

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