SCHEMBL4915028

SCHEMBL4915028

C=C(C)C(=O)OCCCCC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.38
FAAH O00519 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
ENPP2 Q13822 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
DNM1 Q05193 1/20 0.36

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
SCHEMBL4916547 0.98 TSHR (0.57) TSHRTHRBHTTPOLBAPEX1
SCHEMBL4918092 0.95 TSHR (0.51) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16425936 0.95 TSHR (0.51) TSHRTHRBHTTPOLBAPEX1
SCHEMBL24099523 0.93 TSHR (0.50) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16309297 0.92 TSHR (0.53) TSHRTHRBHTTPOLBAPEX1
SCHEMBL16309307 0.90 THRB (0.48) TSHRTHRBHTTPOLBAPEX1
SCHEMBL17830827 0.89 TSHR (0.63) TSHRFAAHLPAR1LPAR2ENPP2
SCHEMBL16309329 0.88 TSHR (0.58) TSHRTHRBHTTPOLBAPEX1
SCHEMBL4917590 0.88 THRB (0.47) TSHRTHRBHTTPOLBAPEX1
SCHEMBL22939772 0.88 TSHR (0.49) TSHRTHRBHTTPOLBAPEX1

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-2578200-A1 Compounds for infiltrating and/or sealing of dental hard substance and method VOCO GmbH (DE) 2013-04-10 EP disclosed
US-20080102262-A1 Radiation Curable Composition and Curing Product Thereof, and Laminate Including the Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-05-01 US disclosed