SCHEMBL12242516

SCHEMBL12242516

C=CC(=O)Cc1ccc(C#Cc2ccc(C(=O)Oc3ccc(COC(=O)C=C)c(OC)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 4/20 0.34
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
ACACB O00763 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
PTPN2 P17706 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL12242487 0.88 ACACB (0.38) ACACB
SCHEMBL12242519 0.87 MAOB (0.34) PRSS1ACRACACBTHRB
SCHEMBL12242560 0.84 THRB (0.39) KMT2AMEN1PRSS1ACACBMAPT
SCHEMBL12242513 0.84 THRB (0.39) KMT2AMEN1PRSS1ACACBMAPT
SCHEMBL12242486 0.77 FFAR1 (0.41) ACACB
SCHEMBL12242514 0.77 ACHE (0.38) KMT2ATDP1MEN1CYP3A4L3MBTL1
SCHEMBL17245086 0.75 L3MBTL1 (0.35) KMT2ATDP1MEN1CYP3A4L3MBTL1
SCHEMBL12242527 0.75 FFAR1 (0.41) KMT2AMEN1CYP3A4L3MBTL1ACACB
SCHEMBL12242484 0.75 FFAR1 (0.41) KMT2AMEN1CYP3A4L3MBTL1ACACB
SCHEMBL12242496 0.75 MET (0.37) ACACB

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