SCHEMBL888585

SCHEMBL888585

CCOC(=O)C(C1CCCCC1)C(OCC)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SHBG P04278 1/20 0.34

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
SCHEMBL888367 0.98 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL660922 0.86 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL1785494 0.86 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL819084 0.85 ALDH1A1 (0.35) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL893144 0.84 ALDH1A1 (0.51) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL819473 0.83 ALDH1A1 (0.33) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL23197887 0.81 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL13269688 0.79 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL27559531 0.79 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL15015986 0.79 ALDH1A1 (0.49) ALDH1A1NPSR1TSHRL3MBTL1THRB

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