SCHEMBL4612397

SCHEMBL4612397

O=C(c1cccc2ccccc12)P(=O)(OC1CCCC1)OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
PLK1 P53350 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 4/20 0.42
PTK2B Q14289 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 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
SCHEMBL4611295 0.99 LMNA (0.45) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL4610989 0.97 MMP3 (0.44) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL4610702 0.79 NPC1 (0.50)
SCHEMBL4609599 0.79 CNR1 (0.47) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL776414 0.78 NPC1 (0.52) LMNA
SCHEMBL4612329 0.77 NPC1 (0.47)
SCHEMBL2117154 0.76 KMT2A (0.53) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL4612175 0.75 ELANE (0.42) LMNAPOLB
SCHEMBL4610568 0.75 PLK1 (0.54) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL2119946 0.75 KMT2A (0.56) MMP3HDAC8NR4A1NR4A2NR4A3

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