SCHEMBL246560

SCHEMBL246560

C=C(C)C(=O)OCCC1OC(F)(F)C1(F)F

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
SCHEMBL247210 0.84 ALDH1A1 (0.49) THRBTSHRALDH1A1
SCHEMBL28813087 0.77 ALDH1A1 (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL245966 0.77 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL246267 0.74 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL243039 0.74 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26340770 0.73 ALDH1A1 (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL245304 0.73 ALDH1A1 (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL270904 0.69
SCHEMBL28933796 0.69 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28702407 0.69 ALDH1A1 (0.43) 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