SCHEMBL4612175

SCHEMBL4612175

O=C(c1ccccc1)P(=O)(OC1CCCC1)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.39
KAT6A Q92794 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38

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
SCHEMBL4611369 0.98 POLB (0.44) ELANEPOLBNPC1RAB9ALMNA
SCHEMBL4609874 0.97 ATM (0.39) ELANEPOLBNPC1RAB9ALMNA
SCHEMBL4610700 0.83 MEN1 (0.52) POLBNPC1RAB9ALMNAMEN1
SCHEMBL779382 0.82 MEN1 (0.55) POLBNPC1RAB9ALMNAMEN1
SCHEMBL4610460 0.81 MAPK1 (0.48) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4612324 0.80 MEN1 (0.49) POLBNPC1RAB9ALMNAMEN1
SCHEMBL4610255 0.80 RAB9A (0.49) POLBNPC1RAB9ALMNAMEN1
SCHEMBL4612155 0.78 RAB9A (0.45) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4610702 0.78 NPC1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4610466 0.77 ALDH1A1 (0.46) ELANEPOLBRAB9ALMNAMEN1

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