SCHEMBL4916636

SCHEMBL4916636

C=C(C)C(=O)OCCCCC(=O)N(C)CCOC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

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
DNM1 Q05193 1/20 0.35
BCHE P06276 8/20 0.33
ACHE P22303 8/20 0.33
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 3/20 0.32
CHRM1 P11229 2/20 0.32
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNA4 P43681 1/20 0.31
CNR1 P21554 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
SCHEMBL4914169 0.98 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4916318 0.95 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4909696 0.94 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4916585 0.92 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4911836 0.90 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4909822 0.88 THRB (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4913035 0.87 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13199066 0.81 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4917623 0.81 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4916116 0.80 TSHR (0.57) 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-20080102262-A1 Radiation Curable Composition and Curing Product Thereof, and Laminate Including the Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-05-01 US disclosed