SCHEMBL8000591

SCHEMBL8000591

CS(=O)(=O)Oc1ccccc1CCOc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.57
PPARG P37231 12/20 0.54
FFAR1 O14842 7/20 0.53
CYP3A4 P08684 2/20 0.53
RXRA P19793 1/20 0.53
PPARA Q07869 2/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL7987726 0.89 PTPN1 (0.59) PTPN1PPARGFFAR1CYP3A4RXRA
SCHEMBL21504844 0.87 FFAR1 (0.59) PPARGFFAR1CYP3A4RXRAPPARA
SCHEMBL8000477 0.85 PPARG (0.60) PTPN1PPARGFFAR1CYP3A4RXRA
SCHEMBL19559777 0.82 FFAR1 (0.61) PPARGFFAR1CYP3A4RXRAPPARA
SCHEMBL7987911 0.82 PTPN1 (0.79) PTPN1PPARGFFAR1CYP3A4RXRA
SCHEMBL8003801 0.82 FFAR1 (0.56) PTPN1PPARGFFAR1CYP3A4RXRA
SCHEMBL6931578 0.81 FFAR1 (0.59) PPARGFFAR1CYP3A4RXRAPPARA
SCHEMBL7996885 0.79 PPARG (0.61) PPARGFFAR1CYP3A4RXRAPPARA
SCHEMBL9312385 0.79 PPARG (0.59) PPARGFFAR1CYP3A4RXRAPPARA
SCHEMBL12515224 0.79 FFAR1 (0.69) PPARGFFAR1CYP3A4RXRAPPARA

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
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed