SCHEMBL2000381

SCHEMBL2000381

O=C(OC(=O)C1CCCC(Br)C1C(=O)O)C1CCCC(Br)C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.36
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACE P12821 1/20 0.33
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
TFPI2 P48307 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL2806779 0.84 PEPD (0.41) PEPDPOLBAPEX1TDP1ACE
SCHEMBL5525138 0.79 PEPD (0.48) PEPDACELMNATP53
SCHEMBL4464323 0.79 PEPD (0.48) PEPDACELMNATP53
SCHEMBL336245 0.79 PEPD (0.48) PEPDACELMNATP53
SCHEMBL3783177 0.77 EPHX1 (0.39) PEPDPOLBAPEX1TDP1ACE
SCHEMBL34169 0.74 PEPD (0.43) PEPDKDM4ELMNATP53
SCHEMBL10578737 0.74 PEPD (0.43) PEPDKDM4ELMNATP53
SCHEMBL20656751 0.74 GABRR1 (0.40) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL130870 0.74 PEPD (0.43) PEPDKDM4ELMNATP53
SCHEMBL598373 0.74 PEPD (0.43) PEPDKDM4ELMNATP53

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-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed