SCHEMBL6583975

SCHEMBL6583975

COc1cc(CCCC(=O)OC(C)C)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.62
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 4/20 0.42
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
ALOX15 P16050 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PPARA Q07869 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.39
USP2 O75604 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6584001 0.89 PPARG (0.67) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL8675039 0.86 PPARG (0.63) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6585691 0.85 PPARG (0.68) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6582015 0.85 PPARG (0.61) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6585666 0.84 PPARG (0.63) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6581846 0.84 PPARG (0.63) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6587422 0.84 PPARG (0.63) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6583831 0.83 PPARG (0.60) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6583839 0.83 PPARG (0.60) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6582034 0.83 PPARG (0.65) PPARGSMN1; SMN2ALDH1A1MAPTKDM4E

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed