SCHEMBL7693606

SCHEMBL7693606

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
MET P08581 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
LPAR1 Q92633 2/20 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
SCHEMBL7693347 0.94 MET (0.35) METPPARGPPARAALDH1A1CYP1A2
SCHEMBL7688923 0.92 MAPT (0.38) METPPARGPPARAALDH1A1CYP1A2
SCHEMBL7687505 0.92 MET (0.38) METPPARGPPARAALDH1A1CYP1A2
SCHEMBL6478360 0.90 MAPT (0.39) METALDH1A1CYP1A2CYP2C9CYP2D6
SCHEMBL7694588 0.89 SPHK2 (0.38) METALDH1A1CYP1A2CYP2C9CYP2D6
SCHEMBL7692473 0.89 MET (0.38) METALDH1A1CYP1A2CYP2C9CYP2D6
SCHEMBL7698073 0.89 MET (0.43) METCYP2D6NPC1LPAR1LPAR5
SCHEMBL7698067 0.89 MET (0.43) METCYP2D6NPC1LPAR1LPAR5
SCHEMBL7693432 0.89 MET (0.39) METALDH1A1CYP1A2CYP2C9CYP2D6
SCHEMBL7694683 0.87 MET (0.40) METALDH1A1CYP1A2CYP2C9CYP2D6

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