SCHEMBL15765285

SCHEMBL15765285

NC(=O)CCCCCNC(=S)Nc1ccc(C[C@H](CN(CC=O)CCN(CC=O)CC(=O)O)N(CC=O)CC(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
FOLH1 Q04609 3/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GSK3B P49841 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20079622 0.81 ALDH1A1 (0.41) CA2CA1ALDH1A1LMNAMAPT
SCHEMBL17325863 0.81 ALDH1A1 (0.41) CA2CA1ALDH1A1LMNAMAPT
SCHEMBL20079589 0.80 ALDH1A1 (0.40) CA2CA1ALDH1A1LMNAMAPT
SCHEMBL21554140 0.79 LMNA (0.42) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL17322685 0.77 ALDH1A1 (0.38) CA2CA1ALDH1A1LMNAMAPT
SCHEMBL13224653 0.77 LMNA (0.45) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL17322682 0.77 ALDH1A1 (0.38) CA2CA1ALDH1A1LMNAMAPT
SCHEMBL17322684 0.76 ALDH1A1 (0.38) CA2CA1ALDH1A1LMNAMAPT
SCHEMBL12974566 0.75 ENPP2 (0.41) CA2CA1MAPTHDAC1HDAC6
SCHEMBL119010 0.74 LMNA (0.44) CA2CA1ALDH1A1LMNAMAPT

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-2014084372-A1 POLYPEPTIDE AND IMAGING METHOD 国立大学法人京都大学 (JP) 2014-06-05 WO disclosed