SCHEMBL28078112

SCHEMBL28078112

[CH2]CCNCCCOC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.46
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PAOX Q6QHF9 2/20 0.32
SAT1 P21673 1/20 0.31
ACHE P22303 6/20 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
SCHEMBL3281164 0.86 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2515158 0.86 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL345245 0.86 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Phosphoric Acid SCHEMBL28245127 0.86 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19427400 0.86 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19523505 0.84 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL108888 0.84 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27395144 0.83 THRB (0.66) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL28246373 0.82 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530355 0.81 TSHR (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105854642-A Preparation method of hydrophilic polyacrylonitrile nanofiltration membrane with polyhydroxy 天津工业大学 2016-08-17 CN disclosed