SCHEMBL245659

SCHEMBL245659

C=C(C)C(=O)OCCC1(C(F)(F)F)CCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL246564 0.90 THRB (0.38) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27798366 0.89 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL246669 0.86 ALDH1A1 (0.40) THRBTSHRALDH1A1HTT
SCHEMBL27706840 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27819602 0.80 TSHR (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL245628 0.79 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL244937 0.77 ALDH1A1 (0.38) THRBTSHRALDH1A1
SCHEMBL1357092 0.76 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27847987 0.73 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1
Oxirane SCHEMBL3776781 0.72 THRB (0.61) 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-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 US disclosed