SCHEMBL1104111

SCHEMBL1104111

C=C(C)C(=O)OCCNC(=O)NCCOC(=O)C(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9883776 0.89 THRB (0.44) THRBTSHR
SCHEMBL12392207 0.89 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL838242 0.89 THRB (0.44) THRBTSHR
SCHEMBL16376496 0.86 TSHR (0.44) THRBTSHR
SCHEMBL1104117 0.86 TSHR (0.48) THRBTSHR
SCHEMBL92144 0.86 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10040893 0.86 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL14849949 0.86 THRB (0.44) THRBTSHRALDH1A1
SCHEMBL13402807 0.85 THRB (0.48) THRBTSHR
SCHEMBL14849947 0.85 TSHR (0.42) THRBTSHRALDH1A1POLBAPEX1

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-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed