SCHEMBL5080676

SCHEMBL5080676

CC(C)COC(=O)c1sc(Cl)c(Cl)c1C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 5/20 0.41
GPR35 Q9HC97 1/20 0.37
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
GSK3B P49841 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM6 O15303 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
SCHEMBL5082910 0.81 ALDH1A1 (0.47) TSHRALDH1A1GPR35MAPTNPC1
SCHEMBL5078848 0.74 ALDH1A1 (0.41) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL5078862 0.72 FHIT (0.50) TSHRALDH1A1GPR35MAPTNPC1
SCHEMBL5079631 0.70 ALDH1A1 (0.47) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL5082934 0.70 ALDH1A1 (0.51) TSHRALDH1A1GPR35MAPTNPC1
SCHEMBL5077042 0.70 ALDH1A1 (0.51) TSHRALDH1A1GPR35MAPTNPC1
SCHEMBL6058847 0.69 TSHR (0.39) TSHRALDH1A1GPR35MAPTCACNA1F
SCHEMBL4737610 0.68 ALDH1A1 (0.58) TSHRALDH1A1MAPTRAB9ATDP1
SCHEMBL11481513 0.68 ALDH1A1 (0.49) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL17965785 0.67 ALDH1A1 (0.52) TSHRALDH1A1GPR35MAPTNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371802-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2008-05-13 US disclosed
US-20070106039-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2007-05-10 US disclosed
EP-1678218-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2006-07-12 EP disclosed
WO-2005047351-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-05-26 WO disclosed