SCHEMBL2854423

SCHEMBL2854423

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
METAP2 P50579 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL22963812 0.81 CYP2D6 (0.47) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL1866738 0.81 CYP2D6 (0.47) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL1245676 0.80 CYP2D6 (0.60) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL28467253 0.80 CYP2D6 (0.41) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL27924508 0.79 CYP2D6 (0.46) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL28226669 0.79 CYP2D6 (0.38) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL3654740 0.78 CYP2D6 (0.61) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL13681637 0.78 CYP2D6 (0.47) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL5682017 0.78 CYP2D6 (0.47) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL27545267 0.78 CYP2D6 (0.47) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104736627-B Boiling film propylene resin composition 胜亚诺盟股份有限公司 2018-04-17 CN disclosed
US-8822366-B2 Solid titanium catalyst component, catalyst for olefin polymerization and process for polymerizing olefin MITSUI CHEMICALS, INC. (JP) 2014-09-02 US disclosed
EP-2206731-B1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD MITSUI CHEMICALS INC (JP) 2013-08-28 EP disclosed
US-20100227991-A1 SOLID TITANIUM CATALYST COMPONENT, CATALIST FOR OLEFIN POLYMERIZATION AND PROCESS FOR POLYMERIZING OLEFIN MITSUI CHEMICALS, INC. (JP) 2010-09-09 US disclosed
EP-2206731-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD Mitsui Chemicals, Inc. (JP) 2010-07-14 EP disclosed