SCHEMBL889944

SCHEMBL889944

C=C(C)C(=O)OCCOC(=O)NCC(C)(C)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.41
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 7/20 0.33
ALDH1A1 P00352 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL10331181 0.88 THRB (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3182240 0.86 TSHR (0.41) TSHRTHRBACHEALDH1A1CHRNB2
SCHEMBL181998 0.85 THRB (0.37) TSHRTHRBACHECHRNB2CHRNB4
SCHEMBL12920727 0.85 TSHR (0.42) TSHRTHRBACHEALDH1A1CHRNB2
SCHEMBL13464044 0.85 THRB (0.35) TSHRTHRBACHECHRNB2CHRNB4
SCHEMBL12085083 0.84 THRB (0.36) TSHRTHRBCHRNB2CHRNB4CHRNA3
SCHEMBL5693856 0.82 THRB (0.35) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17075532 0.82 THRB (0.40) TSHRTHRBACHECHRNB2CHRNB4
SCHEMBL4094910 0.82 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL21547311 0.82 THRB (0.35) TSHRTHRBACHECHRNB2CHRNB4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067400-B2 Lithographic printing plate precursor and method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2015-06-30 US disclosed
US-9067400-B2 Lithographic printing plate precursor and method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2015-06-30 US disclosed
US-8789464-B2 Lithographic printing plate support and presensitized plate FUJIFILM CORPORATION (JP) 2014-07-29 US disclosed
US-8789464-B2 Lithographic printing plate support and presensitized plate FUJIFILM CORPORATION (JP) 2014-07-29 US disclosed
US-20110265673-A1 LITHOGRAPHIC PRINTING PLATE SUPPORT AND PRESENSITIZED PLATE FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
US-20110265673-A1 LITHOGRAPHIC PRINTING PLATE SUPPORT AND PRESENSITIZED PLATE FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed