SCHEMBL6583517

SCHEMBL6583517

COc1cc(CCCC2OC(=O)NC2=O)ccc1OCc1csc(CCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ECE1 P42892 1/20 0.38
APP P05067 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ADRB2 P07550 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6584211 0.89 PPARG (0.57) PPARGMTNR1AMTNR1BALDH1A1MAPT
SCHEMBL6584914 0.85 PPARG (0.55) PPARGHDAC1HDAC6MTNR1AMTNR1B
SCHEMBL6584904 0.85 PPARG (0.55) PPARGHDAC1HDAC6MTNR1AMTNR1B
SCHEMBL6960498 0.85 HDAC1 (0.45) PPARGHDAC1HDAC6MTNR1AMTNR1B
SCHEMBL6587576 0.85 PPARG (0.58) PPARGMTNR1AMTNR1BAPPABCB1
SCHEMBL6583521 0.85 HDAC1 (0.43) PPARGHDAC1HDAC6MTNR1AMTNR1B
SCHEMBL6583459 0.83 PPARG (0.53) PPARGHDAC1HDAC6MTNR1AMTNR1B
SCHEMBL6583452 0.83 PPARG (0.53) PPARGHDAC1HDAC6MTNR1AMTNR1B
SCHEMBL6587646 0.82 PPARG (0.59) PPARGMTNR1AMTNR1BAPPABCB1
SCHEMBL8339459 0.81 HDAC1 (0.43) PPARGHDAC1HDAC6MTNR1AMTNR1B

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