SCHEMBL4610262

SCHEMBL4610262

CC1(C)COP(=O)(C(=O)C2CCCCC2)OC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 2/20 0.34
RECQL P46063 1/20 0.34
HSD11B1 P28845 2/20 0.33
GAA P10253 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
HSD11B2 P80365 1/20 0.30

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
SCHEMBL4610658 0.83 HDAC8 (0.32) CES2CES1TSHRRECQLHSD11B1
SCHEMBL4609910 0.81 CES2 (0.32) CES2CES1TSHRRECQLHSD11B1
SCHEMBL4609474 0.81 NAAA (0.32) HDAC8HDAC6
SCHEMBL4609177 0.78 CES2 (0.38) CES2CES1TSHRRECQLHSD11B1
SCHEMBL4611357 0.77 CES2 (0.41) CES2CES1TSHRRECQLHSD11B1
SCHEMBL4612260 0.76
SCHEMBL4609326 0.72 TSHR (0.41) CES2CES1TSHRRECQLHSD11B1
SCHEMBL4609923 0.70 RECQL (0.37) CES2CES1TSHRRECQLGAA
SCHEMBL4611017 0.69 TSHR (0.39) CES2CES1TSHRRECQLGAA
SCHEMBL4611242 0.69 TSHR (0.36) CES2CES1TSHRRECQLGAA

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-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene 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