SCHEMBL4031069

SCHEMBL4031069

CCOC(=O)/C=C/c1cccnc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
MAPT P10636 5/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 5/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALOX15 P16050 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
FDPS P14324 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
PPARA Q07869 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL4031075 1.00 PPARG (0.50) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL4030069 0.88 PPARG (0.55) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL4854412 0.87 PPARG (0.51) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL4854473 0.87 PPARG (0.51) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL6584580 0.83 FDPS (0.57) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL6583683 0.83 FDPS (0.57) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL4029301 0.80 PPARG (0.53) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL4852715 0.80 PPARG (0.49) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL4852732 0.80 PPARG (0.49) PPARGMAPTKDM4EALDH1A1HSD17B10
SCHEMBL4846344 0.79 PPARG (0.52) PPARGMAPTKDM4EALDH1A1HSD17B10

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed