SCHEMBL12242521

SCHEMBL12242521

C=CC(=O)COc1ccc(C#Cc2ccc(/C=C/C(=O)Oc3ccc(OCOC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
FFAR1 O14842 2/20 0.36
THRB P10828 1/20 0.35
GSK3B P49841 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
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
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34

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 1.00 KMT2A (0.40) KMT2AFFAR1THRBGSK3BMEN1
SCHEMBL12242509 0.92 FFAR1 (0.39) KMT2AFFAR1THRBGSK3BMEN1
SCHEMBL12242480 0.88 FFAR1 (0.45) FFAR1THRBHTTRAB9A
SCHEMBL12242522 0.88 FFAR1 (0.45) FFAR1THRBHTTRAB9A
SCHEMBL12242555 0.88 KMT2A (0.37) KMT2AFFAR1MEN1MAPTKDM4E
SCHEMBL12242544 0.88 KMT2A (0.39) KMT2AFFAR1THRBGSK3BMEN1
SCHEMBL13963267 0.88 KMT2A (0.41) KMT2ATHRBGSK3BMEN1MAPT
SCHEMBL12154227 0.87 KMT2A (0.50) KMT2ATHRBGSK3BMEN1MAPT
SCHEMBL13963228 0.87 KMT2A (0.38) KMT2ATHRBMEN1MAPTKDM4E
SCHEMBL12242493 0.85 FFAR1 (0.42) FFAR1THRBMAPTKDM4ENPC1

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