SCHEMBL12242538

SCHEMBL12242538

C=CC(=O)COC(=O)/C=C/c1ccc(C#Cc2ccc(C(=O)Oc3ccc(OCOC(=O)C=C)c(F)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.32
GSK3B P49841 2/20 0.32
BACE1 P56817 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 1/20 0.32
MAOB P27338 1/20 0.32
CYSLTR2 Q9NS75 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
SCHEMBL12242536 0.94 KDM4E (0.33) CASP3SENP7SENP6KDM4EMAPT
SCHEMBL12242515 0.90 FFAR1 (0.32)
SCHEMBL12242555 0.80 KMT2A (0.37) CASP3SENP7SENP6KDM4EMAPT
SCHEMBL12242482 0.79 FFAR1 (0.37)
SCHEMBL12242514 0.78 ACHE (0.38) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL12733822 0.78 THRB (0.37) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL12242509 0.78 FFAR1 (0.39) KDM4EMEN1KMT2ALMNAGSK3B
SCHEMBL12242430 0.78 CA12 (0.34) KDM4EMEN1KMT2APOLBGAA
SCHEMBL12242525 0.77 KMT2A (0.40) KDM4EMAPTMEN1KMT2AGSK3B
SCHEMBL12242521 0.77 KMT2A (0.40) KDM4EMAPTMEN1KMT2AGSK3B

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