SCHEMBL4609917

SCHEMBL4609917

CC(C)COP(=O)(OCC(C)C)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LAP3 P28838 1/20 0.33
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
MMP1 P03956 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL4609160 0.79 TSHR (0.40) TSHRCYP3A4GAAMEN1KMT2A
SCHEMBL2984366 0.79 CA12 (0.45) TSHRCYP3A4GAAALDH1A1
SCHEMBL4610207 0.76 TSHR (0.33) TSHRCYP3A4GAAMEN1KMT2A
SCHEMBL2982691 0.76 ALDH1A1 (0.37) CYP3A4MEN1KMT2AALDH1A1
SCHEMBL4610232 0.74 CYP3A4 (0.33) TSHRCYP3A4GAAMEN1KMT2A
SCHEMBL4610889 0.74
SCHEMBL4612144 0.73 CA2 (0.46) TSHRCYP3A4
SCHEMBL4611243 0.72 ALDH1A1 (0.33) TSHRCYP3A4GAAMEN1KMT2A
SCHEMBL4609562 0.72 CYP3A4 (0.50) TSHRCYP3A4GAAALDH1A1
SCHEMBL4611526 0.72 TSHR (0.48) TSHRCYP3A4GAALAP3

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