SCHEMBL4609922

SCHEMBL4609922

CCCCC(CC)C(=O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.55
FOLH1 Q04609 1/20 0.46
PTGES O14684 4/20 0.44
ALOX5 P09917 4/20 0.44
PPARG P37231 4/20 0.44
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 3/20 0.44
CA2 P00918 1/20 0.42
CNR2 P34972 1/20 0.42
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4611654 0.81 MAPK1 (0.46) PTGESALOX5PPARGMAPK1ALDH1A1
SCHEMBL3823743 0.79 CA2 (0.53) CETPPTGESALOX5PPARGMAPK1
SCHEMBL4612488 0.78 CA2 (0.50) MAPK1TSHRCA2CYP3A4L3MBTL1
Hydrochloric Acid SCHEMBL29705115 0.77 CA2 (0.51) CETPPTGESALOX5PPARGMAPK1
2-Ethylhexanoic Acid SCHEMBL8511038 0.77 MAPK1 (0.61) CETPPTGESALOX5PPARGMAPK1
SCHEMBL4609348 0.76 TSHR (0.55) CETPFOLH1MAPK1ALDH1A1TSHR
SCHEMBL4609606 0.76 CA2 (0.49) MAPK1CA2CYP3A4L3MBTL1
SCHEMBL58397 0.76 MAPK1 (0.52) MAPK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL28815597 0.75 ALDH1A1 (0.55) CETPPTGESALOX5PPARGMAPK1
SCHEMBL3247583 0.74 ALDH1A1 (0.51) CETPMAPK1ALDH1A1MEN1KMT2A

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