SCHEMBL888523

SCHEMBL888523

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
CYP2D6 P10635 1/20 0.33
EPHX2 P34913 4/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
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 0.89 CYP2D6 (0.35) HSD11B1CYP2D6EPHX2MAPK1ALDH1A1
SCHEMBL888546 0.83 MAPK1 (0.41) HSD11B1CYP2D6EPHX2MAPK1ALDH1A1
SCHEMBL819751 0.83 HSD11B1 (0.33) HSD11B1EPHX2EPHX1
SCHEMBL888449 0.79 L3MBTL1 (0.35) HSD11B1EPHX2MAPK1ALDH1A1EPHX1
SCHEMBL28931786 0.77 HSD11B1 (0.38) HSD11B1CYP2D6EPHX2MAPK1ALDH1A1
SCHEMBL819516 0.75 L3MBTL1 (0.33) HSD11B1EPHX2EPHX1L3MBTL1
SCHEMBL888550 0.74 CYP2D6 (0.40) CYP2D6ALDH1A1L3MBTL1
SCHEMBL888578 0.73 ALDH1A1 (0.42) CYP2D6ALDH1A1EPHX1L3MBTL1
SCHEMBL28311742 0.71 MAPK1 (0.35) HSD11B1CYP2D6EPHX2MAPK1ALDH1A1
SCHEMBL888524 0.71 LMNA (0.39) CYP2D6EPHX2ALDH1A1LMNAMEN1

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