SCHEMBL4609580

SCHEMBL4609580

COc1ccc(C(=O)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
PLK1 P53350 1/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47

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
SCHEMBL4610749 0.82 ALDH1A1 (0.48) MAPTCES2CES1ALDH1A1GAA
SCHEMBL4610734 0.82 CES2 (0.57) MAPTCES2CES1CA1CA2
SCHEMBL4611016 0.80 TSHR (0.47) MAPTALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL4610116 0.79 CA1 (0.47) MAPTCES2CES1CA1CA2
SCHEMBL4609622 0.76 MAPT (0.58) MAPTCES2CES1CA1CA2
SCHEMBL4610179 0.76 CES2 (0.59) MAPTCES2CES1CA1CA2
SCHEMBL4610552 0.75 CES2 (0.56) CES2CES1CA1CA2PLK1
SCHEMBL4609476 0.74 CA1 (0.46) MAPTCES2CES1CA1CA2
SCHEMBL4611349 0.73 CES2 (0.47) MAPTCES2CES1CA1CA2
SCHEMBL9418310 0.72 RXFP1 (0.79) MAPTCES2CES1CA1CA2

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