SCHEMBL4610255

SCHEMBL4610255

COc1ccc(C(=O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MDM2 Q00987 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADCY1 Q08828 1/20 0.43

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
SCHEMBL4610460 0.98 MAPK1 (0.48) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4612155 0.95 RAB9A (0.45) RAB9ANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL779382 0.85 MEN1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4610700 0.83 MEN1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4611369 0.81 POLB (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4612324 0.80 MEN1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4612175 0.80 ELANE (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4611314 0.79 POLB (0.49) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4609874 0.76 ATM (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4610734 0.76 CES2 (0.57) RAB9ANPC1MAPK1SMN1; SMN2ALDH1A1

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