SCHEMBL5449308

SCHEMBL5449308

CCN(CC)c1ccc(C(c2ccccc2)c2ccc(N(CC)CC)cc2CO)c(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 4/20 0.40
CNR2 P34972 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
GAA P10253 4/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL9297647 0.89 CNR2 (0.40) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
SCHEMBL7952524 0.81 S100B (0.49) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
SCHEMBL133593 0.81 S100B (0.49) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
Perchlorate SCHEMBL11345976 0.80 MAPT (0.48) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
SCHEMBL5555755 0.80 S100B (0.40) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
SCHEMBL237839 0.80 KMT2A (0.54) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
SCHEMBL237533 0.78 S100B (0.45) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
SCHEMBL6248449 0.78 L3MBTL1 (0.39) ALDH1A1CYP3A4KMT2ACNR2SMN1; SMN2
SCHEMBL9780503 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ACNR2NPSR1NR1H2
SCHEMBL7650155 0.77 MAPT (0.61) KMT2ACNR2SMN1; SMN2LMNATP53

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
US-20070092817-A1 Imaging member XEROX CORPORATION 2007-04-26 US disclosed