SCHEMBL6236787

SCHEMBL6236787

COc1ccc(/C=C2\SC(=O)NC2=O)cc1C(=O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 6/20 0.61
HPGD P15428 3/20 0.58
FOXM1 Q08050 1/20 0.58
PTPN1 P18031 4/20 0.57
CYP3A4 P08684 1/20 0.56
PIM1 P11309 2/20 0.54
PIM2 Q9P1W9 2/20 0.54
PDE4B Q07343 1/20 0.53
PIM3 Q86V86 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52

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
SCHEMBL6232457 1.00 ESRRA (0.61) ESRRAHPGDFOXM1PTPN1CYP3A4
SCHEMBL6232460 1.00 ESRRA (0.61) ESRRAHPGDFOXM1PTPN1CYP3A4
SCHEMBL7458048 0.84 ESRRA (0.62) ESRRAFOXM1PTPN1CYP3A4PPARG
SCHEMBL7458053 0.84 ESRRA (0.62) ESRRAFOXM1PTPN1CYP3A4PPARG
SCHEMBL6232813 0.81 PPARA (0.62) PPARGPPARA
SCHEMBL6235532 0.79 ESRRA (0.60) ESRRAHPGDFOXM1PTPN1CYP3A4
SCHEMBL6235536 0.79 ESRRA (0.60) ESRRAHPGDFOXM1PTPN1CYP3A4
SCHEMBL7459355 0.76 PIM1 (0.71) ESRRAHPGDPIM1PIM2PDE4B
SCHEMBL7459357 0.76 PIM1 (0.71) ESRRAHPGDPIM1PIM2PDE4B
SCHEMBL7457209 0.76 PIM1 (0.71) ESRRAHPGDCYP3A4PIM1PIM2

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