SCHEMBL6587579

SCHEMBL6587579

COc1cc(CCCC2NC(=O)OC2=O)ccc1OCc1coc(CCc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
APP P05067 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RAF1 P04049 2/20 0.36
MAP2K1 Q02750 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL6585594 0.88 PPARG (0.42) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL8340545 0.86 MTNR1A (0.41) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6583521 0.85 HDAC1 (0.43) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6584254 0.85 PPARG (0.41) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6587576 0.84 PPARG (0.58) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6973190 0.83 PTPN1 (0.43) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL8888965 0.83 PPARG (0.39) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6584720 0.82 MTNR1A (0.52) MTNR1AMTNR1BMAPTALDH1A1HSD17B10
SCHEMBL6584217 0.81 KDM4E (0.43) PPARGMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6583405 0.80 FFAR1 (0.41) PPARGMAPTALDH1A1HSD17B10KDM4E

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