SCHEMBL6587422

SCHEMBL6587422

COc1cc(CCC[C@H](O)C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.63
PPARA Q07869 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.43
ALOX15 P16050 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.40
POLB P06746 3/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40

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
SCHEMBL6581846 1.00 PPARG (0.63) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6585666 1.00 PPARG (0.63) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6583839 0.89 PPARG (0.60) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6583831 0.89 PPARG (0.60) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6587789 0.88 PPARG (0.59) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6582138 0.88 PPARG (0.59) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6582149 0.88 PPARG (0.59) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6584001 0.88 PPARG (0.67) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6585691 0.86 PPARG (0.68) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6583975 0.84 PPARG (0.62) PPARGPPARASMN1; SMN2ALDH1A1HSD17B10

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