SCHEMBL4611558

SCHEMBL4611558

CC(C)C(=O)P(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.36
MMP2 P08253 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 2/20 0.34
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MMP8 P22894 2/20 0.32
MMP1 P03956 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL4612113 0.98 NPSR1 (0.41) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4610304 0.94 NPSR1 (0.38) ACHENPSR1MEN1KMT2AGAA
SCHEMBL7048419 0.78 ACHE (0.48) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611200 0.75 ACHE (0.45) ACHENPSR1MEN1KMT2AGAA
SCHEMBL28667418 0.74 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611346 0.73 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4610863 0.73 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA
SCHEMBL4611414 0.73 CA2 (0.41) ACHECA1CA2MMP1NAAA
SCHEMBL4610483 0.73 SLC1A3 (0.38) LMNAMMP2CA12CA1CA2
SCHEMBL12076280 0.72 NPSR1 (0.58) ACHENPSR1MEN1KMT2AGAA

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