SCHEMBL4198907

SCHEMBL4198907

CC(=CCBr)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 14/20 0.54
CES1 P23141 13/20 0.54
PTPN1 P18031 1/20 0.47
GSK3B P49841 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
EGFR P00533 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4954899 0.83 CES2 (0.62) CES2CES1PTPN1GSK3BEGFR
SCHEMBL9682043 0.83 CES2 (0.62) CES2CES1PTPN1GSK3BEGFR
SCHEMBL17732045 0.81 CES2 (0.52) CES2CES1PTPN1GSK3BMTNR1A
SCHEMBL6064977 0.78 GPR52 (0.51) CES2CES1RAB9A
Biphenyl SCHEMBL27937078 0.78 CES2 (0.56) CES2CES1PTPN1GSK3BRAB9A
SCHEMBL11878948 0.77 CES2 (0.60) CES2CES1RAB9ALMNAMAPT
SCHEMBL11878944 0.77 CES2 (0.60) CES2CES1RAB9ALMNAMAPT
SCHEMBL3839743 0.77 PTPN1 (0.41) CES2CES1PTPN1GSK3BMTNR1A
SCHEMBL3839739 0.77 PTPN1 (0.41) CES2CES1PTPN1GSK3BMTNR1A
SCHEMBL16226903 0.75 CES2 (0.58) CES2CES1RAB9ALMNAMAPT

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-1636245-B1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2009-02-25 EP disclosed
US-20060252637-A1 Bisindenyl zirconium complexes for use in the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-11-09 US disclosed
EP-1636245-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2006-03-22 EP disclosed
WO-2004106351-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-12-09 WO disclosed