SCHEMBL12242547

SCHEMBL12242547

C=C(C)C(=O)Cc1ccc(C#Cc2ccc(-c3ccc(/C=C/C(=O)OCOC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA1 P00915 2/20 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
MET P08581 1/20 0.36
CA2 P00918 1/20 0.36
HDAC2 Q92769 2/20 0.35
MGLL Q99685 2/20 0.35
FFAR1 O14842 2/20 0.34
POLB P06746 1/20 0.34
AKR1B10 O60218 3/20 0.34
AKR1B1 P15121 3/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
MMP1 P03956 2/20 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
SCHEMBL12242415 0.86 CA12 (0.36) CA12CA7CA9CA14CA1
SCHEMBL12242508 0.83 CASP3 (0.38) CA12CA7CA9CA14CA1
SCHEMBL12691889 0.82 CA12 (0.48) CA12CA7CA9CA14CA1
SCHEMBL12242561 0.80 FFAR1 (0.38) FFAR1POLB
SCHEMBL12242498 0.80 FFAR1 (0.38) FFAR1POLB
SCHEMBL13481041 0.79 CA12 (0.43) CA12CA7CA9CA14CA1
SCHEMBL12242558 0.78 CA12 (0.39) CA12CA7CA9CA14CA1
SCHEMBL12242535 0.76 FDPS (0.35) CA12CA7CA9CA14CA1
SCHEMBL12242510 0.76 FDPS (0.35) CA12CA7CA9CA14CA1
SCHEMBL12242559 0.76 FFAR1 (0.41) FFAR1POLB

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