SCHEMBL12242576

SCHEMBL12242576

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
APP P05067 2/20 0.40
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
FFAR1 O14842 1/20 0.37
HDAC2 Q92769 2/20 0.36
AKR1B10 O60218 4/20 0.36
AKR1B1 P15121 4/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
TTR P02766 2/20 0.36
DPP4 P27487 1/20 0.36
MET P08581 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL12242416 0.83 MGLL (0.38) MGLLAPPCA12CA7CA9
SCHEMBL12242558 0.82 CA12 (0.39) MGLLAPPCA12CA7CA9
SCHEMBL16518560 0.81 THRB (0.34)
SCHEMBL16518506 0.81 THRB (0.34)
SCHEMBL12242555 0.78 KMT2A (0.37) MGLLFFAR1LMNAPOLB
SCHEMBL12242509 0.77 FFAR1 (0.39) APPCA12CA7CA9CA14
SCHEMBL12242423 0.75 APP (0.34) MGLLAPPCA12CA7CA9
SCHEMBL12242420 0.75 APP (0.36) MGLLAPPCA12CA7CA9
SCHEMBL16425361 0.73 HDAC2 (0.48) HDAC2LMNA
SCHEMBL12242429 0.73 MAPT (0.41) APPCA12CA7CA9CA14

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 4 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-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
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