SCHEMBL6583829

SCHEMBL6583829

COc1cc(CCCC(OC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.52
PPARA Q07869 7/20 0.39
MMP1 P03956 1/20 0.38
MAPT P10636 7/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALOX15 P16050 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LCLAT1 Q6UWP7 1/20 0.35
FFAR1 O14842 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 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
SCHEMBL6584151 1.00 PPARG (0.52) PPARGPPARAMMP1MAPTALDH1A1
SCHEMBL6583825 1.00 PPARG (0.52) PPARGPPARAMMP1MAPTALDH1A1
SCHEMBL6583839 0.85 PPARG (0.60) PPARGPPARAMAPTALDH1A1LMNA
SCHEMBL6583831 0.85 PPARG (0.60) PPARGPPARAMAPTALDH1A1LMNA
SCHEMBL6582149 0.85 PPARG (0.59) PPARGPPARAMMP1MAPTALDH1A1
SCHEMBL6587789 0.85 PPARG (0.59) PPARGPPARAMMP1MAPTALDH1A1
SCHEMBL6582138 0.85 PPARG (0.59) PPARGPPARAMMP1MAPTALDH1A1
SCHEMBL6585666 0.81 PPARG (0.63) PPARGPPARAMAPTALDH1A1LMNA
SCHEMBL6581846 0.81 PPARG (0.63) PPARGPPARAMAPTALDH1A1LMNA
SCHEMBL6587422 0.81 PPARG (0.63) PPARGPPARAMAPTALDH1A1LMNA

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