SCHEMBL4609433

SCHEMBL4609433

CCCCC(CC)COP(=O)(OCC(CC)CCCC)C(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 6/20 0.47
TSHR P16473 5/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 1/20 0.47
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4610603 0.88 ALDH1A1 (0.53) CYP3A4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL4611033 0.87 TDP1 (0.53) CYP3A4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL9012780 0.82 CYP3A4 (0.56) CYP3A4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL4609434 0.80 ALDH1A1 (0.56) CYP3A4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL780152 0.79 L3MBTL1 (0.46) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL125241 0.78 CYP3A4 (0.62) CYP3A4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL8679745 0.78 ALDH1A1 (0.73) CYP3A4ALDH1A1TSHRLMNAMAPK1
SCHEMBL777748 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL15496855 0.77 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRLMNAMAPK1
SCHEMBL4609596 0.77 ALDH1A1 (0.44) CYP3A4L3MBTL1ALDH1A1LMNATDP1

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