SCHEMBL888644

SCHEMBL888644

CCOCC(C(=O)OCC)(C(C)C)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
METAP2 P50579 1/20 0.34
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MMP8 P22894 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL888624 0.98 MMP8 (0.33) ALDH1A1METAP2THRBATML3MBTL1
SCHEMBL888502 0.88 ALDH1A1 (0.34) ALDH1A1METAP2THRBATML3MBTL1
SCHEMBL888665 0.87 MMP8 (0.33) ALDH1A1METAP2THRBATML3MBTL1
SCHEMBL820011 0.84
SCHEMBL818789 0.82
SCHEMBL820065 0.78 ALDH1A1 (0.37) ALDH1A1THRBATML3MBTL1NPSR1
SCHEMBL888266 0.77 MMP8 (0.39) ALDH1A1METAP2THRBATML3MBTL1
SCHEMBL13269689 0.77 TSHR (0.36) ALDH1A1METAP2THRBATML3MBTL1
SCHEMBL817781 0.76 ALDH1A1 (0.35) ALDH1A1THRBATML3MBTL1MAPT
SCHEMBL16732196 0.76 ALDH1A1 (0.38) ALDH1A1METAP2THRBATML3MBTL1

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