SCHEMBL20165985

SCHEMBL20165985

CCOC(=O)CC(c1ccccc1)N(C)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MMP8 P22894 1/20 0.42
ABCB1 P08183 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
F10 P00742 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL28482826 0.90 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL27494275 0.88 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL11990750 0.86 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL20165515 0.84 ALDH1A1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL20165410 0.83 SMN1; SMN2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL9711642 0.82 KCNA5 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL21522832 0.82 ALDH1A1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL20166108 0.82 ALDH1A1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL20165516 0.81 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL18353011 0.79 MAPT (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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