SCHEMBL6598498

SCHEMBL6598498

O=C1NC(=O)C(Cc2ccc(OC(C(=O)OCc3ccccc3)[C@H]3CCCN3)cc2)S1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.48
PPARG P37231 3/20 0.48
PPARA Q07869 4/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL6598254 1.00 FFAR1 (0.48) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6594366 0.90 PPARG (0.52) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6595347 0.90 PPARG (0.52) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6597150 0.87 FFAR1 (0.46) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6596770 0.87 FFAR1 (0.46) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6597418 0.80 HPGD (0.54) HPGD
SCHEMBL6598314 0.80 HPGD (0.54) HPGD
SCHEMBL6596984 0.80 FFAR1 (0.46) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6597405 0.80 FFAR1 (0.46) FFAR1PPARGPPARAMEN1ALDH1A1
SCHEMBL6597590 0.79 HTR2C (0.41) ALDH1A1CYP3A4TSHRTDP1

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 1 patent. 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