SCHEMBL9312411

SCHEMBL9312411

O=C1NC(=O)C(Cc2ccc(OCC3COc4ccccc4O3)cc2)S1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
PPARG P37231 8/20 0.53
FFAR1 O14842 9/20 0.52
PPARA Q07869 2/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL9312405 0.80 PPARG (0.52) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL12521793 0.79 CYP3A4 (0.48) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL6600669 0.76 PPARG (0.53) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL8310673 0.76 FFAR1 (0.63) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL8310671 0.76 FFAR1 (0.63) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL1072226 0.76 FFAR1 (0.77) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL10640627 0.75 FFAR1 (0.49) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL8975496 0.75 MAPK1 (0.58) HPGDPPARGFFAR1PPARAMEN1
SCHEMBL6865994 0.74 HPGD (1.00) HPGD
SCHEMBL1299035 0.74 HPGD (1.00) HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296605-A 2,4-thiazolidinedione compounds ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed