SCHEMBL6584259

SCHEMBL6584259

COc1cc(CCCC2OC(=O)NC2=O)ccc1OCc1coc(C=Cc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.58
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPT P10636 2/20 0.35
ERBB2 P04626 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL6584250 1.00 PPARG (0.58) PPARGMTNR1AMTNR1BMEN1KMT2A
SCHEMBL6585075 0.98 PPARG (0.55) PPARGMTNR1AMTNR1BMEN1KMT2A
SCHEMBL6585081 0.98 PPARG (0.55) PPARGMTNR1AMTNR1BMEN1KMT2A
SCHEMBL6583266 0.91 PPARG (0.48) PPARGKMT2APDGFRBPDGFRAMAPT
SCHEMBL6583256 0.91 PPARG (0.48) PPARGKMT2APDGFRBPDGFRAMAPT
SCHEMBL6585831 0.90 PPARG (0.53) PPARGMTNR1AMTNR1BMEN1KMT2A
SCHEMBL6585817 0.90 PPARG (0.53) PPARGMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8888314 0.86 ERBB2 (0.44) PPARGERBB2MINK1
SCHEMBL8888304 0.86 ERBB2 (0.44) PPARGERBB2MINK1
SCHEMBL6585583 0.85 PPARG (0.61) PPARGMTNR1AMTNR1BMAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed