SCHEMBL18050816

SCHEMBL18050816

CCN(CC)C(=O)Cc1ccccc1OC(=O)N(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 2/20 0.56
TSHR P16473 5/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL18050781 0.88 HSD17B10 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL18050733 0.87 HSD17B10 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL18050796 0.86 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL19895661 0.86 HSD17B10 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL18050795 0.85 HSD17B10 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL10013764 0.84 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL29728640 0.83 HSD17B10 (0.70) HSD17B10TSHRLMNAL3MBTL1MEN1
SCHEMBL16965616 0.83 HSD17B10 (0.70) HSD17B10TSHRLMNAL3MBTL1MEN1
SCHEMBL18050768 0.81 HSD17B10 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL16965294 0.81 HSD17B10 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10

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-3268396-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-04-17 EP disclosed
US-10017590-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-10 US disclosed
US-20180057620-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
EP-3268396-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-01-17 EP disclosed
WO-2016142334-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-09-15 WO disclosed