SCHEMBL4609476

SCHEMBL4609476

COc1ccc(C(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
EPHX2 P34913 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PLK1 P53350 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
GSK3B P49841 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL4610116 0.86 CA1 (0.47) CA1CA2EPHX2CES2CES1
SCHEMBL4609993 0.84 ALDH1A1 (0.42) CA2CES2CES1GAARAB9A
SCHEMBL4609622 0.81 MAPT (0.58) CA1CA2CES2CES1PLK1
SCHEMBL4611045 0.81 CES1 (0.41) CES1GAARAB9AMAPTMEN1
SCHEMBL4612083 0.77 CA1 (0.47) CA1CA2CES2CES1PLK1
SCHEMBL4610696 0.77 HDAC3 (0.52) CA1CA2CES2CES1PLK1
SCHEMBL4610734 0.77 CES2 (0.57) CA1CA2CES2CES1PLK1
SCHEMBL4611212 0.76 NPC1 (0.61) CES2CES1GAARAB9AMAPT
SCHEMBL17233760 0.74 CA1 (0.56) CA1CA2CES2CES1GAA
SCHEMBL4609580 0.74 MAPT (0.50) CA1CA2CES2CES1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed