SCHEMBL4622433

SCHEMBL4622433

COCc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.57
FFAR1 O14842 10/20 0.56
PPARA Q07869 6/20 0.56
MPC2 O95563 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
ESRRA P11474 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL877848 0.91 PPARG (0.65) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL3370792 0.85 PPARG (0.62) PPARGFFAR1PPARAMPC2CYP2C8
Hydrochloric Acid SCHEMBL501421 0.85 PPARG (0.61) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL7836834 0.77 FFAR1 (0.56) PPARGFFAR1PPARA
SCHEMBL8312136 0.75 FFAR1 (0.87) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL8316232 0.74 FFAR1 (0.84) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL15790336 0.73 PPARG (0.80) PPARGFFAR1PPARAMPC2CYP2C8
Rivoglitazone SCHEMBL5319250 0.72 PPARG (1.00) PPARGFFAR1PPARAMPC2CYP2C8
Rivoglitazone SCHEMBL2906120 0.72 PPARG (1.00) PPARGFFAR1PPARAMPC2CYP2C8
SCHEMBL1130792 0.72 PPARG (0.54) PPARGFFAR1PPARAMPC2CYP2C8

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
EP-1902713-A1 PHARMACEUTICAL COMPOSITION CONTAINING THIAZOLIDINEDIONE COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-03-26 EP claimed