SCHEMBL2446911

SCHEMBL2446911

C=C(C)C(=O)OCCC(=O)CCCO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.47
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CAMK2A Q9UQM7 1/20 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
SCHEMBL10426403 0.88 THRB (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7121709 0.86 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29082867 0.82 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT
1,4-Butanediol SCHEMBL3252686 0.82 THRB (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL15480 0.82 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2505517 0.81 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
Water SCHEMBL7119412 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
1,3-Propanediol SCHEMBL14910937 0.80 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL8398425 0.80 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14872 0.80 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367618-A1 MICROSPHERES Akzo Nobel N.V. (NL) 2011-09-28 EP disclosed
WO-2010072663-A1 MICROSPHERES AKZO NOBEL N.V. (NL) 2010-07-01 WO disclosed