SCHEMBL4611295

SCHEMBL4611295

O=C(c1cccc2ccccc12)P(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
CNR1 P21554 7/20 0.44
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PLK1 P53350 1/20 0.42
CNR2 P34972 6/20 0.42
PTK2B Q14289 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACP3 P15309 1/20 0.40
EPHX1 P07099 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4612397 0.99 MMP3 (0.44) LMNAPOLBCNR1MMP3HDAC8
SCHEMBL4610989 0.96 MMP3 (0.44) LMNAPOLBCNR1MMP3HDAC8
SCHEMBL4609599 0.80 CNR1 (0.47) LMNAPOLBCNR1MMP3HDAC8
SCHEMBL776414 0.80 NPC1 (0.52) LMNAMEN1KMT2ANPSR1
SCHEMBL4610702 0.78 NPC1 (0.50) MEN1KMT2A
SCHEMBL2119946 0.77 KMT2A (0.56) LMNAPOLBCNR1MMP3HDAC8
SCHEMBL4611369 0.76 POLB (0.44) LMNAPOLBMEN1KMT2ANPSR1
SCHEMBL4612329 0.75 NPC1 (0.47) MEN1KMT2A
SCHEMBL27479917 0.75 KMT2A (0.54) LMNAPOLBCNR1MMP3HDAC8
SCHEMBL2117154 0.75 KMT2A (0.53) POLBMMP3HDAC8NR4A1NR4A2

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