SCHEMBL4610499

SCHEMBL4610499

CC(C)C(OP(=O)(OC(C(C)C)C(C)C)C(=O)c1cccc2ccccc12)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
MMP3 P08254 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PTK2B Q14289 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
CDC25B P30305 2/20 0.41
PTPN1 P18031 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KMT2A Q03164 2/20 0.39

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
SCHEMBL11515536 0.88 KDM4E (0.50) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL4610568 0.80 PLK1 (0.54) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL4610651 0.79 HPGD (0.54) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL4610988 0.78 PLK1 (0.46) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL4609575 0.78 CNR1 (0.45) PLK1MMP3HDAC8L3MBTL1KDM4E
SCHEMBL4609949 0.76 PLK1 (0.50) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL4610767 0.74 KDM4E (0.46) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL4611380 0.74 NR4A1 (0.53) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL4609824 0.74 KMT2A (0.49) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL4610305 0.73 PTK2B (0.67) PLK1MMP3HDAC8NR4A1NR4A2

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