SCHEMBL20005210

SCHEMBL20005210

CCCOc1ccc(C#Cc2cc(F)c(-c3ccc(C)cc3)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.42
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACACA Q13085 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL20005273 0.91 ACACB (0.43) ACACBFFAR1FFAR4ACACA
SCHEMBL19999414 0.90 ACACB (0.45) ACACBFFAR1FFAR4MAPTL3MBTL1
SCHEMBL20004894 0.88 RARA (0.39) ACACBFFAR1FFAR4MCHR1MAPT
SCHEMBL20005267 0.88 RARA (0.39) ACACBFFAR1FFAR4MCHR1MAPT
SCHEMBL19999416 0.87 ACACB (0.45) ACACBFFAR1FFAR4MCHR1MAOB
SCHEMBL20005192 0.83 FFAR4 (0.40) FFAR1FFAR4MAPT
SCHEMBL20005228 0.82 FFAR1 (0.43) ACACBFFAR1FFAR4
SCHEMBL19999454 0.82 FFAR1 (0.43) ACACBFFAR1FFAR4
SCHEMBL19999503 0.82 FFAR4 (0.39) FFAR1FFAR4MAPT
SCHEMBL20005225 0.81 FFAR1 (0.46) FFAR1FFAR4

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