SCHEMBL7688923

SCHEMBL7688923

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
KDM4E B2RXH2 4/20 0.37
CYP3A4 P08684 2/20 0.37
IDE P14735 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
LTA4H P09960 1/20 0.35
CYP1A2 P05177 2/20 0.35
MET P08581 2/20 0.35
NAMPT P43490 2/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.34
PPARG P37231 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
SCHEMBL7693347 0.96 MET (0.35) MAPTSMN1; SMN2ALDH1A1HPGDCYP2D6
SCHEMBL7693606 0.92 F2 (0.37) MAPTSMN1; SMN2ALDH1A1HPGDCYP2D6
SCHEMBL7687505 0.90 MET (0.38) MAPTALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7694588 0.90 SPHK2 (0.38) MAPTALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL7698073 0.89 MET (0.43) CYP2D6CYP3A4FLT1KDRMET
SCHEMBL7698067 0.89 MET (0.43) CYP2D6CYP3A4FLT1KDRMET
SCHEMBL6478360 0.88 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1CYP2D6CYP2C9
SCHEMBL7686458 0.88 ALDH1A1 (0.35) MAPTALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7692473 0.87 MET (0.38) MAPTALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL7693432 0.86 MET (0.39) MAPTALDH1A1CYP2D6CYP2C9CYP2C19

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