SCHEMBL12746641

SCHEMBL12746641

C=C(C)C(=O)OCCNC(=O)OCCOC(=O)C(=C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 4/20 0.42
ACHE P22303 8/20 0.41
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13478195 0.89 THRB (0.45) THRBTSHRACHECHRNB2CHRNB4
SCHEMBL13872030 0.89 THRB (0.53) THRBTSHRACHEALDH1A1L3MBTL1
SCHEMBL2403793 0.89 THRB (0.53) THRBTSHRACHEALDH1A1L3MBTL1
SCHEMBL13758059 0.86 THRB (0.40) THRBTSHRACHEALDH1A1
SCHEMBL12746642 0.85 THRB (0.57) THRBTSHRHTTALDH1A1
SCHEMBL22648008 0.85 THRB (0.44) THRBTSHRACHECHRNB2CHRNB4
SCHEMBL25064227 0.84 THRB (0.49) THRBTSHRACHEALDH1A1L3MBTL1
SCHEMBL2407776 0.84 THRB (0.58) THRBTSHRACHELMNAALDH1A1
SCHEMBL19082688 0.84 THRB (0.49) THRBTSHRACHEALDH1A1L3MBTL1
SCHEMBL28828026 0.84 THRB (0.49) THRBTSHRACHEALDH1A1L3MBTL1

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-7923197-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2011-04-12 US disclosed
US-7713681-B2 Method for preparation of lithographic printing plate FUJIFILM CORPORATION (JP) 2010-05-11 US disclosed
US-20090246692-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20080160451-A1 METHOD FOR PREPARATION OF LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-07-03 US disclosed