SCHEMBL4609575

SCHEMBL4609575

CC(C)OP(=O)(OC(C)C)C(=O)c1cccc2ccccc12.CCCOP(=O)(OCCC)C(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.45
CNR2 P34972 5/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
PLK1 P53350 1/20 0.40
CDC25B P30305 1/20 0.40
NR1I2 O75469 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL11515536 0.88 KDM4E (0.50) ALDH1A1HPGDTHRBL3MBTL1MEN1
SCHEMBL4610958 0.84 KMT2A (0.48) ALDH1A1HPGDTHRBL3MBTL1MEN1
SCHEMBL4610123 0.83 CNR2 (0.55) CNR1CNR2ALDH1A1HPGDTHRB
SCHEMBL4610651 0.80 HPGD (0.54) CNR1CNR2ALDH1A1HPGDTHRB
SCHEMBL4610988 0.79 PLK1 (0.46) CNR1CNR2ALDH1A1HPGDTHRB
SCHEMBL4612212 0.79 ALDH1A1 (0.51) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL4610499 0.78 PLK1 (0.47) ALDH1A1HPGDTHRBL3MBTL1MEN1
SCHEMBL4610278 0.74 PLK1 (0.46) CNR1CNR2ALDH1A1HPGDTHRB
SCHEMBL4609948 0.74 ALDH1A1 (0.53) CNR1CNR2ALDH1A1HPGDTHRB
SCHEMBL776757 0.73 KMT2A (0.49) ALDH1A1HPGDTHRBL3MBTL1MEN1

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