SCHEMBL12242553

SCHEMBL12242553

C=CC(=O)Cc1ccc(-c2ccc(C#Cc3ccc(-c4ccc(COC(=O)C=C)c(F)c4)cc3)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.35
FFAR4 Q5NUL3 7/20 0.35
GSK3B P49841 1/20 0.32
BACE1 P56817 1/20 0.32
THRB P10828 1/20 0.31
NAAA Q02083 1/20 0.31
MAOB P27338 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL12242486 0.85 FFAR1 (0.41) FFAR1FFAR4GSK3BBACE1
SCHEMBL16977650 0.79 THRB (0.41) GSK3BBACE1THRBNAAAMAOB
SCHEMBL12242501 0.79 ENPP2 (0.33) FFAR1
SCHEMBL12242554 0.79 ENPP2 (0.33) FFAR1
SCHEMBL12242519 0.77 MAOB (0.34) FFAR1FFAR4GSK3BBACE1THRB
SCHEMBL12242502 0.77 FFAR1 (0.39) FFAR1FFAR4THRB
SCHEMBL20925129 0.76 TSHR (0.36) FFAR1THRBNAAA
SCHEMBL38664955 0.75 FFAR1 (0.41) FFAR1FFAR4GSK3BBACE1THRB
SCHEMBL20414522 0.73 ELANE (0.38) GSK3BBACE1THRBMAOB
SCHEMBL12242487 0.73 ACACB (0.38) FFAR1

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-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
US-20110253936-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed