SCHEMBL11054828

SCHEMBL11054828

C=C(C)C(=O)OCCOC(CC)(OCCOC(=O)C(=C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.41
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 1/20 0.36
KCNN4 O15554 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 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
SCHEMBL22711060 0.86 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL115658 0.84 KIF11 (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL6384941 0.82 KCNN4 (0.38) POLBTSHRCHRM2CHRM1CHRM3
SCHEMBL19012586 0.82 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL10632044 0.80 CYP2C19 (0.41) TSHRCHRM2CHRM1CHRM3CYP2D6
SCHEMBL16026396 0.80 LMNA (0.33) HTTTSHRCHRM2CHRM1CHRM3
SCHEMBL871073 0.78 CYP2C19 (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL1325115 0.78 TSHR (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL9848763 0.78 CES1 (0.51) THRBPOLBAPEX1HTTTDP1
SCHEMBL10895273 0.77 THRB (0.39) THRBPOLBAPEX1HTTTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4454258-A COPOLYMERS OF UNSATURATED ESTERS AS BINDERS FOR POWDERED FILLERS KANEBO LTD. (JP) 1984-06-12 US disclosed
US-4440878-A NITRIDE AND BINDER BASED ON A PENTAERYTHRITOL ACRYLATE MONOMER; CURING; BONDING KANEBO, LTD. (JP) 1984-04-03 US disclosed
EP-0092260-A1 A composition of restorative material KANEBO, LTD. (JP) 1983-10-26 EP disclosed
US-4327014-A INORGANIC NITRIDE FILLERS IN BINDERS OF PENTAERYTHRITOL TRI-OR TETRA-ACRYLATES KANEBO LTD. (JP) 1982-04-27 US disclosed
EP-0017936-A2 Compositions of restorative material especially suitable for dental filling material KANEBO, LTD. (JP) 1980-10-29 EP disclosed