SCHEMBL4625987

SCHEMBL4625987

O=C(CCc1cc(Br)c(O)c(Br)c1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.56
THRB P10828 6/20 0.56
TDP1 Q9NUW8 1/20 0.54
ALOX5 P09917 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
APP P05067 1/20 0.48
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
AR P10275 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
CASP1 P29466 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL304176 0.82 TDP1 (0.78) TDP1ALDH1A1MAPK1L3MBTL1APP
Ammonia Solution, Strong SCHEMBL28588274 0.81 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1APP
Bicarbonate SCHEMBL7699565 0.81 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL28207503 0.81 TDP1 (0.75) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL1879757 0.80 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL56986 0.80 TDP1 (0.59) TDP1ALOX5ALDH1A1MAPK1L3MBTL1
SCHEMBL305392 0.80 TDP1 (0.68) TDP1ALOX5ALDH1A1MAPK1L3MBTL1
SCHEMBL8526866 0.79 GAA (0.52) TDP1ALOX5ALDH1A1MAPK1L3MBTL1
SCHEMBL27957232 0.79 ALDH1A1 (0.53) THRATHRBTDP1ALDH1A1MAPK1
SCHEMBL16049214 0.78 CYP4F2 (0.54) THRATHRBTDP1ALOX5APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242622-B1 MONITORING OLIGONUCLEOTIDE BINDING PROCESSES USING CHEMILUMINESCENCE QUENCHING MOLECULAR LIGHT TECH RES LTD (GB) 2008-06-18 EP disclosed
US-7169554-B2 Monitoring oligonucleotide binding processes using chemiluminescence quenching GEN-PROBE INCORPORATED (US) 2007-01-30 US disclosed
US-20030082713-A1 Monitoring oligonucleotide binding processes using chemiluminescence quenching THIRD WAVE TECHNOLOGIES, INC. 2003-05-01 US disclosed
EP-1242622-A2 MONITORING OLIGONUCLEOTIDE BINDING PROCESSES USING CHEMILUMINESCENCE QUENCHING Molecular Light Technology Research Limited (GB) 2002-09-25 EP disclosed
WO-2001042497-A9 MONITORING OLIGONUCLEOTIDE BINDING PROCESSES USING CHEMILUMINESCENCE QUENCHING MOLECULAR LIGHT TECH RES LTD (GB) 2002-06-06 WO disclosed
WO-2001042497-A2 MONITORING OLIGONUCLEOTIDE BINDING PROCESSES USING CHEMILUMINESCENCE QUENCHING MOLECULAR LIGHT TECHNOLOGY RESEARCH LIMITED (GB) 2001-06-14 WO disclosed