SCHEMBL4611355

SCHEMBL4611355

CCCCC(CC)C(=O)P(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.49
CA1 P00915 4/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
FDPS P14324 1/20 0.37
TSHR P16473 1/20 0.36
SMPD1 P17405 3/20 0.36
CYP3A4 P08684 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35

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
SCHEMBL4612064 0.82 CA2 (0.56) CA2CA1MAPK1L3MBTL1GAA
SCHEMBL4612488 0.81 CA2 (0.50) CA2CA1MAPK1L3MBTL1USP2
SCHEMBL4612475 0.80 CA2 (0.46) CA2CA1MAPK1L3MBTL1GAA
SCHEMBL4609606 0.79 CA2 (0.49) CA2CA1MAPK1L3MBTL1GAA
SCHEMBL4610618 0.78 CA2 (0.47) CA2CA1MAPK1L3MBTL1GAA
SCHEMBL4611252 0.77 CA2 (0.59) CA2CA1MAPK1USP2FDPS
SCHEMBL4609593 0.77 CA2 (0.46) CA2CA1MAPK1L3MBTL1USP2
SCHEMBL4612144 0.77 CA2 (0.46) CA2CA1MAPK1L3MBTL1ATM
SCHEMBL4611198 0.76 CYP3A4 (0.60) CA2CA1MAPK1L3MBTL1ATM
SCHEMBL4610648 0.73 CA2 (0.42) CA2CA1MAPK1L3MBTL1USP2

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
CN-1293102-C Iron-based catalyst composition for producing syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP (JP) 2007-01-03 CN disclosed
CN-1527844-A Iron-based catalyst composition for the manufacture of syndiotactic 1.2-polybutadiene ������������ʽ���� 2004-09-08 CN 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