SCHEMBL8091357

SCHEMBL8091357

C=C(C)C(=O)OCCNC(N)=O.C=C(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL491194 0.87 THRB (0.48) THRBTSHRPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL27901132 0.86 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL5139727 0.79 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL10312244 0.78 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL2462214 0.78 TSHR (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL5505311 0.78 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL5725130 0.76 TSHR (0.66) THRBTSHRPOLBAPEX1HTT
SCHEMBL27776277 0.76 TSHR (0.56) THRBTSHRPOLBAPEX1HTT
SCHEMBL8823545 0.76 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL11964784 0.76 THRB (0.52) THRBTSHRPOLBAPEX1HTT

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-1055713-A2 Water insoluble non-ionic graft copolymer binders E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-11-29 EP disclosed