SCHEMBL4609952

SCHEMBL4609952

CCCC(=O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.56
TSHR P16473 2/20 0.53
FOLH1 Q04609 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL4609918 0.86 TSHR (0.56) CETPTSHRFOLH1ALDH1A1HDAC3
SCHEMBL4610334 0.79 TSHR (0.60) CETPTSHRFOLH1ALDH1A1L3MBTL1
SCHEMBL11331659 0.77 TSHR (0.53) CETPTSHRFOLH1ALDH1A1L3MBTL1
SCHEMBL7520596 0.76 TSHR (0.67) CETPTSHRFOLH1ALDH1A1L3MBTL1
SCHEMBL4611241 0.76 L3MBTL1 (0.51) ALDH1A1L3MBTL1TDP1
SCHEMBL11333838 0.76 TSHR (0.56) CETPTSHRFOLH1ALDH1A1HDAC1
SCHEMBL11592226 0.75 TSHR (0.60) CETPTSHRFOLH1ALDH1A1L3MBTL1
SCHEMBL4610294 0.75 TSHR (0.55) CETPTSHRFOLH1ALDH1A1L3MBTL1
SCHEMBL4609348 0.75 TSHR (0.55) CETPTSHRFOLH1ALDH1A1MAOB
SCHEMBL5615776 0.74 TSHR (0.63) CETPTSHRFOLH1ALDH1A1L3MBTL1

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