SCHEMBL888405

SCHEMBL888405

CCCCC(C)(C)C(COC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 1/20 0.32
CPB2 Q96IY4 1/20 0.31
ACHE P22303 1/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL888503 0.88 CA1 (0.44) CA1CA2ALDH1A1MAPTACHE
SCHEMBL888534 0.87 CYP4F2 (0.37) CYP4F2CYP4A11CA1CA2MEN1
SCHEMBL820136 0.82 ALDH1A1 (0.34) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL819982 0.81 CA1 (0.33) CA1CA2ALDH1A1TSHR
SCHEMBL28224625 0.80 CYP4F2 (0.37) CYP4F2CYP4A11CA1CA2MEN1
SCHEMBL888268 0.79 CA1 (0.42) CYP4F2CYP4A11CA1CA2MEN1
SCHEMBL819040 0.78 ALDH1A1 (0.37) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL888625 0.77 ALDH1A1 (0.36) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL28311970 0.75 CYP4F2 (0.39) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL27543681 0.75 CYP4F2 (0.41) CYP4F2CYP4A11CA1CA2MEN1

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