SCHEMBL8471607

SCHEMBL8471607

C=C(C)C(=O)OCC(N(C)C)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL13779875 0.83 TSHR (0.61) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11267374 0.82 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL2788400 0.82 TSHR (0.64) TSHRTHRBALDH1A1
SCHEMBL8966000 0.80 TSHR (0.75) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8519927 0.80 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL1362589 0.80 TSHR (0.62) TSHRTHRBALDH1A1
Trimethylammonium SCHEMBL11665410 0.79 TSHR (0.88) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9334633 0.79 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL11302844 0.79 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL147268 0.78 TSHR (0.71) TSHRTHRBALDH1A1POLBAPEX1

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-5945244-A Coated carrier XEROX CORPORATION (US) 1999-08-31 US disclosed