SCHEMBL888624

SCHEMBL888624

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.33
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CASP6 P55212 1/20 0.31
CYP2D6 P10635 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 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
SCHEMBL888644 0.98 ALDH1A1 (0.34) MMP8METAP2ALDH1A1KMT2AMEN1
SCHEMBL888665 0.88 MMP8 (0.33) MMP8METAP2ALDH1A1KMT2AMEN1
SCHEMBL888502 0.87 ALDH1A1 (0.34) MMP8METAP2ALDH1A1KMT2AMEN1
SCHEMBL818789 0.83
SCHEMBL820011 0.82
SCHEMBL817781 0.78 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1THRBATM
SCHEMBL888473 0.77 MMP8 (0.40) MMP8METAP2ALDH1A1THRBATM
SCHEMBL820065 0.76 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1THRBATM
SCHEMBL13269648 0.76 TSHR (0.34) MMP8METAP2ALDH1A1THRBATM
SCHEMBL16732266 0.76 MMP8 (0.37) MMP8METAP2ALDH1A1KMT2ATHRB

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