SCHEMBL12242557

SCHEMBL12242557

C=CC(=O)COC(=O)c1ccc(C#Cc2ccc(-c3ccc(-c4ccc(COC(=O)C=C)cc4)cc3)cc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.31
ENPP2 Q13822 1/20 0.31
MAPT P10636 3/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL16182717 0.81 FFAR1 (0.45) FFAR1FFAR4ACACBPTGDR2
SCHEMBL12242550 0.77 GAA (0.31) KDM4ELMNA
SCHEMBL12242546 0.76 FFAR1 (0.39) FFAR1FFAR4ACACB
SCHEMBL12242501 0.76 ENPP2 (0.33) FFAR1ACACBENPP2
SCHEMBL12242554 0.76 ENPP2 (0.33) FFAR1ACACBENPP2
SCHEMBL16182918 0.76 FFAR1 (0.46) FFAR1FFAR4ACACB
SCHEMBL12242502 0.74 FFAR1 (0.39) FFAR1FFAR4ACACBLMNANPC1
SCHEMBL16182899 0.74 FFAR1 (0.44) FFAR1FFAR4ACACB
SCHEMBL14164513 0.73 FFAR1 (0.38) FFAR1FFAR4ACACBPTGDR2
SCHEMBL12242553 0.72 FFAR1 (0.35) 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 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