SCHEMBL4609633

SCHEMBL4609633

CCC1(CC)COP(=O)(C(=O)c2ccccc2)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CES1 P23141 4/20 0.36
CES2 O00748 3/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4612131 0.89 NAAA (0.38) KMT2AMEN1CES1CES2HSD17B10
SCHEMBL4612216 0.86 LMNA (0.40) KMT2AMEN1CES1CES2HSD17B10
SCHEMBL4612258 0.81 CES2 (0.35) KMT2ACES1CES2HSD17B10HPGD
SCHEMBL4610969 0.73 L3MBTL1 (0.40) KMT2AMEN1CES1CES2HSD17B10
SCHEMBL4611528 0.72
SCHEMBL22050805 0.70 CYP1A2 (0.34) POLBALDH1A1GAALMNACYP1A2
SCHEMBL4611412 0.69 CES1 (0.38) KMT2AMEN1CES1CES2HSD17B10
SCHEMBL4612197 0.69 ALDH1A1 (0.37) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4611052 0.68
SCHEMBL4611071 0.68

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