SCHEMBL8888965

SCHEMBL8888965

COc1cc(CCCCC2NC(=O)OC2=O)ccc1OCc1coc(C=Cc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
ERBB2 P04626 3/20 0.34
MINK1 Q8N4C8 1/20 0.34
MAPT P10636 2/20 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
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL6584254 0.98 PPARG (0.41) PPARGMTNR1AMTNR1BERBB2MINK1
SCHEMBL6585823 0.93 PPARG (0.37) PPARGMTNR1AMTNR1BERBB2MINK1
SCHEMBL6583264 0.89 ERBB2 (0.35) PPARGERBB2MINK1MAPTALDH1A1
SCHEMBL8898263 0.86 ERBB2 (0.46) PPARGERBB2MINK1
SCHEMBL8888832 0.86 ERBB2 (0.45) PPARGERBB2MINK1
SCHEMBL8890888 0.86 ERBB2 (0.45) PPARGERBB2MINK1
SCHEMBL6583455 0.85 PPARG (0.37) PPARGMTNR1AMTNR1BMAPTHDAC1
SCHEMBL6585075 0.85 PPARG (0.55) PPARGMTNR1AMTNR1BERBB2MINK1
SCHEMBL6585081 0.85 PPARG (0.55) PPARGMTNR1AMTNR1BERBB2MINK1
SCHEMBL6975089 0.85 PPARG (0.39) PPARGMTNR1AMTNR1BERBB2MINK1

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
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