SCHEMBL5078308

SCHEMBL5078308

C=CC(=O)OCCOc1ccc(C(C)(C)c2cccc(OCC(O)COC(=O)C=C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.41
HTT P42858 3/20 0.41
HIF1A Q16665 1/20 0.41
AR P10275 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5081753 1.00 THRB (0.50) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL5084116 0.92 THRB (0.52) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14173200 0.91 HTT (0.47) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL16647277 0.91 THRB (0.41) THRBKDM4EALDH1A1HTTHIF1A
SCHEMBL20457499 0.86 AR (0.39) THRBKDM4EALDH1A1HTTHIF1A
SCHEMBL5081754 0.86 KDM4E (0.41) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL30864160 0.86 KMT2A (0.53) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14173122 0.86 THRB (0.59) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL17069139 0.86 THRB (0.62) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14173204 0.86 HTT (0.53) THRBKDM4EALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548039-B1 PHOTOPOLYMERIZABLE COMPOSITION AND USE THEREOF MITSUI CHEMICALS INC (JP) 2008-08-13 EP disclosed
US-7307107-B2 Photopolymerizable composition and use thereof MITSUI CHEMICALS, INC. (JP) 2007-12-11 US disclosed
US-20060003261-A1 Photopolymerizable composition and use thereof MITSUI CHEMICALS, INC. (JP) 2006-01-05 US disclosed
EP-1548039-A1 PHOTOPOLYMERIZABLE COMPOSITION AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2005-06-29 EP disclosed