SCHEMBL6595803

SCHEMBL6595803

O=C1NC(=O)C(Cc2ccc(OCC3CCN(C(=O)OCc4ccccc4)CC3)cc2)S1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.53
FFAR1 O14842 9/20 0.53
PPARA Q07869 3/20 0.51
HRH3 Q9Y5N1 1/20 0.49
GRIN2B Q13224 5/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6597051 0.87 GPR119 (0.51) PPARGFFAR1PPARAHRH3GRIN2B
SCHEMBL6598492 0.84 PPARG (0.52) PPARGFFAR1PPARAHRH3MEN1
SCHEMBL6598250 0.84 PPARG (0.52) PPARGFFAR1PPARAHRH3MEN1
SCHEMBL6594361 0.83 PPARG (0.55) PPARGFFAR1PPARAHRH3MEN1
SCHEMBL6595343 0.83 PPARG (0.55) PPARGFFAR1PPARAHRH3MEN1
SCHEMBL8310671 0.81 FFAR1 (0.63) PPARGFFAR1PPARAHRH3MEN1
SCHEMBL8310673 0.81 FFAR1 (0.63) PPARGFFAR1PPARAHRH3MEN1
SCHEMBL30973648 0.80 ENPP2 (0.49) PPARGFFAR1PPARAHRH3MEN1
SCHEMBL6595873 0.80 GPR119 (0.66) HPGD
SCHEMBL6595876 0.80 GPR119 (0.66) HPGD

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