SCHEMBL11054827

SCHEMBL11054827

C=C(C)C(=O)OC(CCc1ccccc1)(OCC)OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
ELANE P08246 1/20 0.35
RECQL P46063 1/20 0.35
THRB P10828 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL27988200 0.86 THRB (0.40) ALDH1A1THRB
SCHEMBL27566734 0.84 THRB (0.33) THRB
SCHEMBL8020679 0.82 THRB (0.41) ALDH1A1SMN1; SMN2MAPTRECQLTHRB
SCHEMBL29023302 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTELANEKMT2A
SCHEMBL6546171 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ELANERECQLKMT2A
SCHEMBL29023299 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTELANEL3MBTL1
SCHEMBL6023404 0.78 TP53 (0.41) ALDH1A1SMN1; SMN2TAAR1TDP1
SCHEMBL8023838 0.78 ALOX5 (0.36) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL6384935 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTRECQLTHRB
SCHEMBL27544033 0.76 THRB (0.35) THRBHTTTDP1

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