SCHEMBL13756152

SCHEMBL13756152

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.56
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 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
SCHEMBL10286923 0.85 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16944261 0.83 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5008758 0.82 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12363407 0.82 THRB (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13460738 0.81 THRB (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18233186 0.81 THRB (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12325537 0.80 ALDH1A1 (0.50) THRBTSHRALDH1A1HTTTDP1
SCHEMBL12646328 0.80 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
Propane SCHEMBL11405097 0.80 THRB (0.75) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.79 THRB (0.74) 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
US-7569328-B2 Resin composition and thermo/photosensitive composition FUJIFILM CORPORATION (JP) 2009-08-04 US disclosed