SCHEMBL3183166

SCHEMBL3183166

CCOOP(=O)(OOCC)c1ccc(-c2ccc(P(=O)(OOCC)OOCC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
AOX1 Q06278 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
UTRN P46939 1/20 0.31
ACHE P22303 1/20 0.31
MMP9 P14780 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 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
SCHEMBL8527129 0.83 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1GAAAOX1
SCHEMBL9407115 0.78 TDP1 (0.45) MEN1KMT2ALMNAAOX1TDP1
SCHEMBL11239242 0.73
SCHEMBL11244974 0.73
SCHEMBL9181309 0.72 ENPP2 (0.33) HRH3
SCHEMBL31482559 0.72 MEN1 (0.49) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL4411675 0.71 NPSR1 (0.36) MEN1KMT2AL3MBTL1AOX1ACHE
SCHEMBL11253975 0.70 GAA (0.38) MEN1KMT2AL3MBTL1LMNAGAA
SCHEMBL6829825 0.70 TDP1 (0.49) MEN1KMT2AAOX1TDP1ACHE
SCHEMBL11250226 0.70 POLB (0.39) MEN1KMT2AAOX1TDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100028576-A1 PROCESS FOR PRODUCING POLYESTER TORAY INDUSTRIES, INC. (JP) 2010-02-04 US disclosed
EP-2083035-A1 PROCESS FOR PRODUCTION OF POLYESTER Toray Industries, Inc. (JP) 2009-07-29 EP disclosed