SCHEMBL3690294

SCHEMBL3690294

O=C1OCCC1=CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
EGFR P00533 1/20 0.36
DYRK1A Q13627 5/20 0.36
DYRK1B Q9Y463 5/20 0.36
DYRK2 Q92630 3/20 0.36
CLK1 P49759 1/20 0.36
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
NAMPT P43490 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL15061627 0.73
SCHEMBL17077371 0.69 EGFR (0.42) ALDH1A1MAPTKMT2AEGFRMYC
SCHEMBL813750 0.69 EGFR (0.45) ALDH1A1MAPTEGFRMYCMAX
SCHEMBL17077372 0.69 EGFR (0.42) ALDH1A1MAPTKMT2AEGFRMYC
SCHEMBL809489 0.69 EGFR (0.45) ALDH1A1MAPTEGFRMYCMAX
SCHEMBL9045857 0.69 MYC (0.34) EGFRMYCMAX
SCHEMBL9045867 0.69 MYC (0.34) EGFRMYCMAX
SCHEMBL812891 0.67 EGFR (0.43) ALDH1A1MAPTEGFRMYCMAX
SCHEMBL809563 0.67 EGFR (0.43) ALDH1A1MAPTEGFRMYCMAX
SCHEMBL9287750 0.67

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
US-7674741-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-03-09 US disclosed
EP-1756172-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2009-11-04 EP disclosed
US-20090118446-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2009-05-07 US disclosed
EP-1756172-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2007-02-28 EP disclosed
WO-2005123784-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-12-29 WO disclosed