SCHEMBL21522906

SCHEMBL21522906

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 7/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL28488967 0.89 ALDH1A1 (0.39) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL21522842 0.83 CYP2D6 (0.41) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL21522919 0.82 CYP2D6 (0.40) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL21522881 0.82 CYP2D6 (0.40) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL20165987 0.82 CYP2D6 (0.40) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL21522903 0.82 CYP2D6 (0.40) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL31126799 0.81 CYP2D6 (0.39) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL21522933 0.80 CYP2D6 (0.39) CYP2D6ALDH1A1NPSR1TSHRL3MBTL1
SCHEMBL21522856 0.80 CYP2D6 (0.39) CYP2D6ALDH1A1TSHRKMT2AMEN1
SCHEMBL21522890 0.80 CYP2D6 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541857-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2020-09-09 EP disclosed
US-10654946-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-05-19 US disclosed
US-20190330388-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-10-31 US disclosed