SCHEMBL2587139

SCHEMBL2587139

C=C(C)C(=O)OCCC(CO)OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKCA P17252 4/20 0.33
TGFBR1 P36897 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
SCHEMBL19316645 0.88 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9174766 0.87 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15407 0.86 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8942672 0.86 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11048077 0.84 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8022030 0.83 TSHR (0.39) THRBTSHRALDH1A1PRKCATGFBR1
SCHEMBL9305051 0.83 TSHR (0.47) THRBTSHRPRKCA
SCHEMBL8955602 0.83 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL35385 0.82 TSHR (0.45) THRBTSHRALDH1A1TDP1PRKCA
SCHEMBL11049715 0.81 ALDH1A1 (0.41) THRBTSHRALDH1A1TDP1PRKCA

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
WO-2011135044-A1 IMPROVEMENTS IN RELATION TO A MANUFACTURING METHOD FOR AN ELECTROWETTING DEVICE SAMSUNG LCD NETHERLANDS R & D CENTER B.V. (NL) 2011-11-03 WO disclosed