SCHEMBL6602019

SCHEMBL6602019

CN1C(=O)c2ccccc2OC1COc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
FFAR1 O14842 10/20 0.50
HRH3 Q9Y5N1 1/20 0.48
PPARA Q07869 3/20 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
MPC2 O95563 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6600814 0.89 FFAR1 (0.49) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL8797348 0.82 PPARG (0.56) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL6601560 0.80 PPARG (0.52) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL6602225 0.80 PPARG (0.52) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL6600669 0.79 PPARG (0.53) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL6601460 0.79 MEN1 (0.54) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL9143087 0.78 FFAR1 (0.64) PPARGFFAR1HRH3PPARAHPGD
SCHEMBL8796971 0.78 PPARG (0.54) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL8797183 0.78 PPARG (0.49) PPARGFFAR1HRH3CYP3A4
SCHEMBL6602967 0.77 FFAR1 (0.49) PPARGFFAR1HRH3PPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036075-B1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES REDDYS LAB LTD DR (IN) 2004-06-23 EP claimed
US-6313113-B1 AZOLIDINEDIONE DERIVATIVES, ANALOGUES, TAUTOMERIC FORMS, STEREOISOMERS, POLYMORPHS, SALTS AND SOLVATES; TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS REDDY-CHEMINOR, INC. 2001-11-06 US claimed
EP-1036075-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-09-20 EP claimed
WO-1998045291-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-10-15 WO claimed
EP-1036075-B1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES REDDYS LAB LTD DR (IN) 2004-06-23 EP disclosed
US-6313113-B1 AZOLIDINEDIONE DERIVATIVES, ANALOGUES, TAUTOMERIC FORMS, STEREOISOMERS, POLYMORPHS, SALTS AND SOLVATES; TREATING NON-INSULIN-DEPENDENT DIABETES MELLITUS REDDY-CHEMINOR, INC. 2001-11-06 US disclosed
EP-1036075-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-09-20 EP disclosed
US-6030973-A TYPE II DIABETES (NON-INSULIN-DEPENDENT-DIABETES MELLITUS) POTENTIATION; EFFICIENCY; SIDE EFFECT REDUCTION DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-02-29 US disclosed
WO-1998045291-A1 SUBSTITUTED THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE HAVING ANTIDIABETIC, HYPOLIPIDEMIA AND ANTIHYPERTENSIVE PROPERTIES DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-10-15 WO disclosed