SCHEMBL6583459

SCHEMBL6583459

COc1cc(CCCCC2OC(=O)NC2=O)ccc1OCc1csc(C=Cc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL6583452 1.00 PPARG (0.53) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6584914 0.98 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6584904 0.98 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL8888080 0.86 HDAC1 (0.39) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL8888069 0.86 HDAC1 (0.39) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6585075 0.85 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6585081 0.85 PPARG (0.55) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL6583455 0.85 PPARG (0.37) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL8887756 0.84 PPARG (0.37) PPARGHDAC1HDAC6HDAC3HDAC4
SCHEMBL8887749 0.84 PPARG (0.37) PPARGHDAC1HDAC6HDAC3HDAC4

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