SCHEMBL17656102

SCHEMBL17656102

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
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
SCHEMBL21075051 0.90 THRB (0.33) THRBTSHR
SCHEMBL16329430 0.87 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL10331945 0.84 THRB (0.37) THRBTSHR
SCHEMBL10093714 0.83 THRB (0.36) THRBTSHR
SCHEMBL4399994 0.82 THRB (0.38) THRBTSHR
SCHEMBL15807755 0.81 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4400583 0.80 TSHR (0.39) THRBTSHRALDH1A1
SCHEMBL15888423 0.79 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL19027429 0.79 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11918170 0.78 THRB (0.47) 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
EP-1621337-B1 Image recording material and lithographic printing plate precursor FUJIFILM CORP (JP) 2017-03-22 EP disclosed
EP-2223804-B1 Lithographic printing plate precursor and plate making method thereof FUJIFILM CORP (JP) 2016-04-06 EP disclosed