SCHEMBL4609948

SCHEMBL4609948

CCCCC(CC)COP(=O)(OCC(CC)CCCC)C(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CNR2 P34972 10/20 0.43
CNR1 P21554 9/20 0.43
CYP2C9 P11712 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL4609434 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4610123 0.81 CNR2 (0.55) ALDH1A1L3MBTL1CNR2CNR1CYP2C9
SCHEMBL6904786 0.81 ALDH1A1 (0.78) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4610603 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4610988 0.80 PLK1 (0.46) ALDH1A1CYP3A4LMNAL3MBTL1CNR2
SCHEMBL4610651 0.78 HPGD (0.54) ALDH1A1CYP3A4LMNAL3MBTL1CNR2
SCHEMBL27695475 0.78 CYP3A4 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28315386 0.78 CYP3A4 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29897693 0.76 PRSS1 (0.79) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4609433 0.74 CYP3A4 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1

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