SCHEMBL4609599

SCHEMBL4609599

O=C(c1cccc2ccccc12)P(=O)(OCC1CCCCC1)OCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.47
CNR2 P34972 8/20 0.47
ACP3 P15309 2/20 0.46
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SRC P12931 1/20 0.42
BCHE P06276 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
MMP3 P08254 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
EPHX1 P07099 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40

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
SCHEMBL779150 0.82 NPC1 (0.49) CNR1CNR2LMNASRC
SCHEMBL4611295 0.80 LMNA (0.45) CNR1CNR2ACP3LMNAPOLB
SCHEMBL777962 0.80 NPC1 (0.47) CNR1CNR2LMNASRC
SCHEMBL4612397 0.79 MMP3 (0.44) CNR1CNR2LMNAPOLBMMP3
SCHEMBL27421053 0.79 CHRNB2 (0.50) CNR1CNR2EPHX1
SCHEMBL4610547 0.78 SRC (0.47) LMNAPOLBSRCEPHX1
SCHEMBL4610651 0.76 HPGD (0.54) CNR1CNR2LMNAPOLBMMP3
SCHEMBL4610989 0.76 MMP3 (0.44) CNR1CNR2LMNAPOLBMMP3
SCHEMBL4610744 0.74 NR4A1 (0.49) CNR1CNR2ACP3MMP3HDAC8
SCHEMBL4610988 0.73 PLK1 (0.46) CNR1CNR2LMNAPOLBMMP3

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