SCHEMBL28499341

SCHEMBL28499341

C=C(C)C(=O)OCCCNCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.44
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
LTA4H P09960 3/20 0.36
EGLN1 Q9GZT9 2/20 0.33
EPHX2 P34913 2/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA1A P35348 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28050152 0.89 THRB (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL108888 0.82 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL26300563 0.82 ALDH1A1 (0.48) TSHRALDH1A1LTA4HEPHX2SMN1; SMN2
SCHEMBL3281164 0.81 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19427400 0.81 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL345245 0.81 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28078112 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2515158 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL28246373 0.81 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
Phosphoric Acid SCHEMBL28245127 0.81 TSHR (0.53) 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-112048052-A High oxygen permeation and high oxygen permeation hydrophilic polymer material 亮点光学股份有限公司 2020-12-08 CN disclosed