SCHEMBL4609622

SCHEMBL4609622

CCOP(=O)(OCC)C(=O)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
PLK1 P53350 1/20 0.49
HPGD P15428 2/20 0.47
GSK3B P49841 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC3 O15379 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
SCHEMBL11517158 0.86 PLK1 (0.57) MAPTKMT2AKDM4ENPC1ALDH1A1
SCHEMBL4610696 0.85 HDAC3 (0.52) MAPTKMT2ACA1CA2CES2
SCHEMBL779782 0.82 ALDH1A1 (0.59) MAPTKMT2ACES2CES1NPC1
SCHEMBL4610116 0.82 CA1 (0.47) MAPTKMT2ACA1CA2CES2
SCHEMBL4612083 0.82 CA1 (0.47) MAPTKMT2ACA1CA2CES2
SCHEMBL4610734 0.82 CES2 (0.57) MAPTKMT2ACA1CA2CES2
SCHEMBL4609476 0.81 CA1 (0.46) MAPTKMT2ACA1CA2CES2
SCHEMBL4611212 0.81 NPC1 (0.61) MAPTKMT2ACES2CES1KDM4E
SCHEMBL11515099 0.81 SMN1; SMN2 (0.49) MAPTKMT2ACES2CES1KDM4E
SCHEMBL425583 0.80 NR1I2 (0.54) MAPTKMT2ACES2CES1NPC1

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