SCHEMBL4609593

SCHEMBL4609593

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
MAPK1 P28482 1/20 0.46
CTSK P43235 1/20 0.37
USP2 O75604 1/20 0.36
FDPS P14324 1/20 0.35
TSHR P16473 1/20 0.35
SMPD1 P17405 3/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL4612488 0.81 CA2 (0.50) CA2CA1MAPK1USP2FDPS
SCHEMBL4612064 0.80 CA2 (0.56) CA2CA1MAPK1USP2FDPS
SCHEMBL4610705 0.79 CA2 (0.41) CA2CA1MAPK1USP2FDPS
SCHEMBL4612144 0.77 CA2 (0.46) CA2CA1MAPK1USP2FDPS
SCHEMBL4609606 0.77 CA2 (0.49) CA2CA1MAPK1USP2FDPS
SCHEMBL4611355 0.77 CA2 (0.49) CA2CA1MAPK1USP2FDPS
SCHEMBL6903664 0.76 CA2 (0.39) CA2CA1MAPK1USP2FDPS
SCHEMBL4611252 0.75 CA2 (0.59) CA2CA1MAPK1USP2FDPS
SCHEMBL4612475 0.74 CA2 (0.46) CA2CA1MAPK1USP2FDPS
SCHEMBL4611198 0.73 CYP3A4 (0.60) CA2CA1MAPK1TSHRCYP3A4

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