SCHEMBL20165987

SCHEMBL20165987

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.37
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL28488446 0.90 TSHR (0.36) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL31126799 0.84 CYP2D6 (0.39) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL21522856 0.83 CYP2D6 (0.39) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL20165413 0.83 CYP2D6 (0.39) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL21522903 0.83 CYP2D6 (0.40) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL21522906 0.82 CYP2D6 (0.39) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL20166090 0.82 MEN1 (0.42) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL21522890 0.81 CYP2D6 (0.39) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL20168870 0.80 CYP2D6 (0.35) CYP2D6TSHRALDH1A1KMT2AMEN1
SCHEMBL20165444 0.79 TSHR (0.40) CYP2D6TSHRALDH1A1KMT2AMEN1

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
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
EP-3541857-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2019-09-25 EP disclosed
WO-2018091375-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 WO disclosed