SCHEMBL4916565

SCHEMBL4916565

C=C(C)C(=O)OCCC(=O)N(CC)CCOC(=O)C(=C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MLYCD O95822 1/20 0.30
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 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
SCHEMBL4914822 0.90 TSHR (0.51) THRBTSHRLMNAALDH1A1POLB
SCHEMBL4917623 0.89 TSHR (0.54) THRBTSHRLMNAALDH1A1POLB
SCHEMBL4916116 0.88 TSHR (0.57) THRBTSHRLMNAALDH1A1POLB
SCHEMBL27707440 0.84 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8917596 0.83 THRB (0.51) THRBTSHRLMNAALDH1A1POLB
SCHEMBL1327708 0.83 THRB (0.50) THRBTSHRLMNAALDH1A1POLB
SCHEMBL4915231 0.81 TSHR (0.51) THRBTSHRLMNAALDH1A1POLB
SCHEMBL8146726 0.81 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4981730 0.81 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4909822 0.79 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1

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