SCHEMBL888473

SCHEMBL888473

CCOCC(CC(C)C)(C(=O)OCC)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
METAP2 P50579 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL888266 0.99 MMP8 (0.39) MMP8CYP4F2CYP4A11METAP2ALDH1A1
SCHEMBL888315 0.89 MMP8 (0.40) MMP8CYP4F2CYP4A11METAP2ALDH1A1
SCHEMBL888462 0.87 MMP8 (0.39) MMP8METAP2ALDH1A1THRBATM
SCHEMBL819616 0.84
SCHEMBL820061 0.83
SCHEMBL7785262 0.77 MMP8 (0.45) MMP8METAP2ALDH1A1THRBATM
SCHEMBL888624 0.77 MMP8 (0.33) MMP8CYP4F2CYP4A11METAP2ALDH1A1
SCHEMBL4414462 0.76 MMP8 (0.44) MMP8METAP2ALDH1A1THRBATM
SCHEMBL888521 0.76 NPSR1 (0.33) MMP8
SCHEMBL888644 0.75 ALDH1A1 (0.34) MMP8METAP2ALDH1A1THRBATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190464-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed