SCHEMBL20193183

SCHEMBL20193183

C=C(C)C(=O)OCCCN(COC)OC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.42
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL27395146 0.79 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10120074 0.78 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28346965 0.77 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4487106 0.76 THRB (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11468052 0.75 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL112006 0.75 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL197726 0.75 TSHR (0.68) TSHRTHRBPOLBAPEX1HTT
SCHEMBL554127 0.75 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL345806 0.75 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.74 TSHR (0.72) 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
US-9982663-B2 Electroosmotic pump unit and assembly THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-05-29 US disclosed