SCHEMBL169165

SCHEMBL169165

CC(=O)OCCCc1ccc(C(=O)CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.47
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
CYP2J2 P51589 1/20 0.46
PTPN1 P18031 5/20 0.44
TNKS2 Q9H2K2 1/20 0.43
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.40
HAO1 Q9UJM8 1/20 0.39

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
SCHEMBL168852 0.90 GSK3B (0.50) GSK3BTHRATHRBCYP2J2PTPN1
SCHEMBL168135 0.83 HSD17B10 (0.59) CYP2J2TNKS2LMNAHSD17B10CYP4A11
SCHEMBL3935835 0.81 THRA (0.47) GSK3BTHRATHRBPTPN1CYP4A11
SCHEMBL23929839 0.79 GSK3B (0.57) GSK3BTHRATHRBPTPN1
SCHEMBL4303524 0.79 PTPRC (0.46) THRATHRBCYP2J2PTPN1TNKS2
SCHEMBL12065158 0.79 THRA (0.61) GSK3BTHRATHRBCYP2J2TNKS2
SCHEMBL9251076 0.79 HSD17B10 (0.57) THRATHRBTNKS2LMNAHSD17B10
SCHEMBL12020282 0.79 PLOD2 (0.51) THRATHRBCYP2J2TNKS2LMNA
SCHEMBL16672630 0.78 CTDSP1 (0.55) TNKS2LMNA
SCHEMBL3011724 0.78 THRA (0.66) GSK3BTHRATHRBPTPN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed