SCHEMBL6236808

SCHEMBL6236808

COc1ccc(C=C2SC(=O)NC2=O)cc1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 8/20 0.60
FOXM1 Q08050 1/20 0.59
HDAC4 P56524 5/20 0.56
CYP3A4 P08684 2/20 0.55
PIM1 P11309 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
PDE4B Q07343 1/20 0.52
PIM3 Q86V86 1/20 0.52
PTPN1 P18031 1/20 0.52
HDAC8 Q9BY41 2/20 0.51
PPARA Q07869 1/20 0.51
PPARG P37231 1/20 0.51

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
SCHEMBL6236807 1.00 ESRRA (0.60) ESRRAFOXM1HDAC4CYP3A4PIM1
SCHEMBL6497480 0.84 ESRRA (0.61) ESRRAFOXM1CYP3A4PIM1PIM2
SCHEMBL6497485 0.84 ESRRA (0.61) ESRRAFOXM1CYP3A4PIM1PIM2
SCHEMBL6235536 0.84 ESRRA (0.60) ESRRAFOXM1CYP3A4PIM1PIM2
SCHEMBL6235532 0.84 ESRRA (0.60) ESRRAFOXM1CYP3A4PIM1PIM2
SCHEMBL6503306 0.81 PPARA (0.61) HDAC4HDAC8PPARA
SCHEMBL6234267 0.79 PIM1 (0.67) PIM1PIM2PDE4BPIM3
SCHEMBL6234271 0.79 PIM1 (0.67) PIM1PIM2PDE4BPIM3
SCHEMBL6497637 0.79 ESRRA (0.61) ESRRAFOXM1CYP3A4PIM1PIM2
SCHEMBL6497642 0.79 ESRRA (0.61) ESRRAFOXM1CYP3A4PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213287-B1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN SEIYAKU KK (JP) 2005-05-25 EP disclosed
US-6730687-B1 THERAPY OF METABOLIC DISEASES SUCH AS DIABETES AND HYPERLIPIDEMIA AS AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
EP-1213287-A1 SUBSTITUTED BENZYLTHIAZOLIDINE-2,4-DIONE DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed