SCHEMBL4610552

SCHEMBL4610552

COc1ccc(C(=O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F10 P00742 1/20 0.50
KMT2A Q03164 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
KCNK9 Q9NPC2 1/20 0.48
PLK1 P53350 1/20 0.47
CA4 P22748 1/20 0.47

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
SCHEMBL275254 0.86 SRC (0.54) CES2CES1KDM4EALDH1A1
SCHEMBL777534 0.85 MEN1 (0.50) CES2CES1ALDH1A1GAASMN1; SMN2
SCHEMBL4610734 0.80 CES2 (0.57) CES2CES1CA1CA2ALDH1A1
SCHEMBL10890061 0.80 HTT (0.51) CES2CES1PKMHTTALDH1A1
SCHEMBL4611212 0.80 NPC1 (0.61) CES2CES1HTTKDM4EALDH1A1
SCHEMBL777303 0.79 CYP3A4 (0.55) CES2CES1ALDH1A1GAASMN1; SMN2
SCHEMBL4611476 0.78 NPC1 (0.54) CES2CES1PKMHTTALDH1A1
SCHEMBL9643952 0.78 CES2 (0.58) CES2CES1CA1CA2KDM4E
SCHEMBL8107990 0.77 SRC (0.48) SMN1; SMN2NPC1RAB9AKCNK9
SCHEMBL22322005 0.77 PKM (0.59) CES2CES1PKMHTTALDH1A1

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