SCHEMBL6058847

SCHEMBL6058847

CC(C)COC(=O)c1sc(Br)c(Br)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PTPN1 P18031 1/20 0.39
GPR35 Q9HC97 2/20 0.35
GSK3B P49841 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
TARBP2 Q15633 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30

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 0.91 ALDH1A1 (0.41) TSHRALDH1A1PTPN1GSK3BMAPT
SCHEMBL5079631 0.75 ALDH1A1 (0.47) TSHRALDH1A1GSK3BMAPTLMNA
SCHEMBL17965795 0.71 TSHR (0.50) TSHRALDH1A1PTPN1GPR35MAPT
SCHEMBL5080676 0.69 TSHR (0.41) TSHRALDH1A1GPR35GSK3BMAPT
SCHEMBL25262181 0.68 ALDH1A1 (0.47) TSHRALDH1A1GPR35MAPTLMNA
SCHEMBL28744988 0.68 ALDH1A1 (0.47) TSHRALDH1A1GPR35MAPTLMNA
SCHEMBL27557396 0.68 ALDH1A1 (0.47) TSHRALDH1A1GPR35MAPTLMNA
SCHEMBL5080682 0.68 ALDH1A1 (0.51) TSHRALDH1A1GPR35GSK3BMAPT
SCHEMBL5078862 0.66 FHIT (0.50) TSHRALDH1A1GPR35MAPTLMNA
SCHEMBL21612061 0.65 MAPT (0.46) TSHRALDH1A1MAPTLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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