SCHEMBL20168870

SCHEMBL20168870

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 3/20 0.32
ADH1A P07327 1/20 0.32
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL21522913 0.92 MAPT (0.39) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28482934 0.83 ALDH1A1 (0.37) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20165987 0.80 CYP2D6 (0.40) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31126799 0.78 CYP2D6 (0.39) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20166090 0.78 MEN1 (0.42) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21522890 0.77 CYP2D6 (0.39) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21522856 0.77 CYP2D6 (0.39) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21522903 0.77 CYP2D6 (0.40) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20165517 0.76 MGAM (0.31) ALDH1A1
SCHEMBL20165444 0.76 TSHR (0.40) CYP2D6ALDH1A1MEN1KMT2ASMN1; SMN2

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