SCHEMBL888546

SCHEMBL888546

CCOC(=O)C(COC)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 1/20 0.35
EPHX1 P07099 1/20 0.33
HSD11B1 P28845 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
EPHX2 P34913 6/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL888632 0.87 CYP2D6 (0.35) MAPK1CYP2D6EPHX1HSD11B1L3MBTL1
SCHEMBL888272 0.87 EPHX1 (0.38) MAPK1EPHX1HSD11B1L3MBTL1EPHX2
SCHEMBL888523 0.83 HSD11B1 (0.34) MAPK1CYP2D6EPHX1HSD11B1L3MBTL1
SCHEMBL820118 0.81 EPHX1 (0.36) MAPK1EPHX1HSD11B1L3MBTL1EPHX2
SCHEMBL28931786 0.81 HSD11B1 (0.38) MAPK1CYP2D6EPHX1HSD11B1L3MBTL1
SCHEMBL888449 0.79 L3MBTL1 (0.35) MAPK1EPHX1HSD11B1L3MBTL1LMNA
SCHEMBL28311742 0.75 MAPK1 (0.35) MAPK1CYP2D6EPHX1HSD11B1L3MBTL1
SCHEMBL819516 0.72 L3MBTL1 (0.33) EPHX1HSD11B1L3MBTL1EPHX2
SCHEMBL888576 0.71 CYP2D6 (0.43) CYP2D6L3MBTL1ALDH1A1TSHR
SCHEMBL354053 0.71 ALDH1A1 (0.36) MAPK1EPHX1HSD11B1L3MBTL1LMNA

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