SCHEMBL13160664

SCHEMBL13160664

C=C=C/C=C\C=C/COCCOC(=O)C(=C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL354497 0.79 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL354498 0.79 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8943371 0.77 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10137184 0.73 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL85972 0.73 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16026838 0.72 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2367616 0.72 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL672102 0.72 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22166147 0.72 THRB (0.79) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5959895 0.72 THRB (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230279-A2 Method for manufacturing pigment dispersion, and aqueous ink for inkjet recording FUJIFILM Corporation (JP) 2010-09-22 EP disclosed