SCHEMBL6595347

SCHEMBL6595347

O=C1NC(=O)C(Cc2ccc(OC(C(=O)OCc3ccccc3)[C@@H]3CN3)cc2)S1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.52
FFAR1 O14842 13/20 0.52
PPARA Q07869 3/20 0.49
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6594366 1.00 PPARG (0.52) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL6598498 0.90 FFAR1 (0.48) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL6598254 0.90 FFAR1 (0.48) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL6597150 0.87 FFAR1 (0.46) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL6596770 0.87 FFAR1 (0.46) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL6596984 0.84 FFAR1 (0.46) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL6597405 0.84 FFAR1 (0.46) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL6597932 0.78 HPGD (0.59) HPGD
SCHEMBL1299855 0.77 FFAR1 (0.80) PPARGFFAR1PPARAMAPTMEN1
SCHEMBL166570 0.73 PPARG (0.74) PPARGFFAR1PPARAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0981526-B1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-02-25 EP claimed
EP-0981526-B1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-02-25 EP disclosed
EP-0981526-A1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-01 EP disclosed
WO-1997041119-A1 NOVEL ANTIDIABETIC COMPOUNDS HAVING HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed