SCHEMBL12242530

SCHEMBL12242530

C=CC(=O)Cc1ccc(C#Cc2ccc(OC(=O)/C=C/c3ccc(COC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
LMNA P02545 1/20 0.42
GSK3B P49841 4/20 0.39
BACE1 P56817 4/20 0.39
KMT2A Q03164 3/20 0.39
MET P08581 2/20 0.38
CA1 P00915 1/20 0.38
TTR P02766 1/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL12242528 1.00 CA12 (0.43) CA12CA4CA6CA5ACA7
SCHEMBL12242527 0.86 FFAR1 (0.41) CA12CA4CA6CA5ACA7
SCHEMBL12242484 0.86 FFAR1 (0.41) CA12CA4CA6CA5ACA7
SCHEMBL12242560 0.84 THRB (0.39) KMT2ATHRBMAPTMEN1ACACB
SCHEMBL12242513 0.84 THRB (0.39) KMT2ATHRBMAPTMEN1ACACB
SCHEMBL13963272 0.84 MAPT (0.42) CA12CA4CA6CA5ACA7
SCHEMBL13963232 0.83 AKR1B10 (0.43) CA12CA4CA6CA5ACA7
SCHEMBL13963245 0.83 AKR1B10 (0.41) CA12CA4CA6CA5ACA7
SCHEMBL12242529 0.83 THRB (0.42) KMT2ATHRBMAPTACACBFFAR1
SCHEMBL12242502 0.82 FFAR1 (0.39) LMNATHRBACACBFFAR1

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