SCHEMBL5079631

SCHEMBL5079631

CC(C)COC(=O)c1c(Br)sc(Br)c1C(=O)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 4/20 0.47
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
GSK3B P49841 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FHIT P49789 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL5078848 0.81 ALDH1A1 (0.41) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL17965795 0.80 TSHR (0.50) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL5078862 0.78 FHIT (0.50) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL5082910 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL5077047 0.76 ALDH1A1 (0.51) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL6058847 0.75 TSHR (0.39) ALDH1A1TSHRMAPTSMN1; SMN2GSK3B
SCHEMBL17965785 0.74 ALDH1A1 (0.52) ALDH1A1TSHRMAPTSMN1; SMN2HPGD
SCHEMBL19795504 0.72 TSHR (0.50) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL8550024 0.71 ALDH1A1 (0.58) ALDH1A1TSHRMAPTSMN1; SMN2HPGD
SCHEMBL5080676 0.70 TSHR (0.41) ALDH1A1TSHRMAPTSMN1; SMN2GAA

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 2 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