SCHEMBL12242541

SCHEMBL12242541

C=CC(=O)CC#Cc1ccc(OC(=O)c2ccc(CCC(=O)OCOC(=O)C=C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.39
KMT2A Q03164 3/20 0.34
MAPT P10636 6/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 3/20 0.33
FFAR4 Q5NUL3 3/20 0.33
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL12242448 1.00 THRB (0.39) THRBKMT2AMAPTLMNAL3MBTL1
SCHEMBL12242426 1.00 THRB (0.39) THRBKMT2AMAPTLMNAL3MBTL1
SCHEMBL12242440 0.92 THRB (0.38) THRBKMT2AMAPTLMNAL3MBTL1
SCHEMBL12242427 0.89 KMT2A (0.36) THRBKMT2AMAPTLMNAL3MBTL1
SCHEMBL12242477 0.87 ADRB2 (0.43) THRBKMT2AMAPTLMNAL3MBTL1
SCHEMBL12242424 0.87 THRB (0.36) THRBKMT2AMAPTLMNAPRSS1
SCHEMBL12242449 0.87 THRB (0.36) THRBKMT2AMAPTLMNAPRSS1
SCHEMBL12242429 0.83 MAPT (0.41) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL12242548 0.82 THRB (0.38) THRBKMT2AMAPTLMNAL3MBTL1
SCHEMBL12242810 0.80 THRB (0.46) THRBKMT2AMAPTLMNAL3MBTL1

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