SCHEMBL7693347

SCHEMBL7693347

CCOC(=O)CCNC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
AURKA O14965 2/20 0.34
KDR P35968 2/20 0.34
TEK Q02763 2/20 0.34
LCK P06239 1/20 0.34
IDE P14735 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7688923 0.96 MAPT (0.38) METPPARGPPARAALDH1A1CYP2C9
SCHEMBL7693606 0.94 F2 (0.37) METPPARGPPARAALDH1A1CYP2C9
SCHEMBL7687505 0.91 MET (0.38) METPPARGPPARAALDH1A1CYP2C9
SCHEMBL7694588 0.91 SPHK2 (0.38) METALDH1A1CYP2C9CYP2D6CYP2C19
SCHEMBL7698067 0.90 MET (0.43) METCYP2D6CYP3A4AURKAKDR
SCHEMBL7698073 0.90 MET (0.43) METCYP2D6CYP3A4AURKAKDR
SCHEMBL6478360 0.89 MAPT (0.39) METALDH1A1CYP2C9CYP2D6CYP2C19
SCHEMBL7686458 0.89 ALDH1A1 (0.35) METALDH1A1CYP2C9CYP2D6CYP2C19
SCHEMBL7692473 0.88 MET (0.38) METALDH1A1CYP2C9CYP2D6CYP2C19
SCHEMBL7692428 0.88 ADRB3 (0.37) METALDH1A1CYP2C9CYP2D6CYP2C19

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed