SCHEMBL12242544

SCHEMBL12242544

C=CC(=O)CC#Cc1ccc(/C=C/C(=O)Oc2ccc(OCOC(=O)C=C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
GSK3B P49841 3/20 0.34
BACE1 P56817 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
FFAR1 O14842 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12242525 0.88 KMT2A (0.40) KMT2AGSK3BBACE1THRBMEN1
SCHEMBL12242521 0.88 KMT2A (0.40) KMT2AGSK3BBACE1THRBMEN1
SCHEMBL12242429 0.88 MAPT (0.41) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL12242454 0.87 BACE1 (0.35) KMT2AGSK3BBACE1MEN1MAPT
SCHEMBL12242432 0.86 GSK3B (0.45) KMT2AGSK3BBACE1MEN1MAPT
SCHEMBL12154227 0.86 KMT2A (0.50) KMT2AGSK3BBACE1THRBMEN1
SCHEMBL12242416 0.85 MGLL (0.38) MAPTKDM4EALDH1A1FFAR1LMNA
SCHEMBL12242406 0.85 THRB (0.40) THRBFFAR1
SCHEMBL12242449 0.84 THRB (0.36) KMT2ATHRBMAPTNPC1LMNA
SCHEMBL12242424 0.84 THRB (0.36) KMT2ATHRBMAPTNPC1LMNA

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