SCHEMBL13985455

SCHEMBL13985455

CCOC(=O)[C@H](C)OC(=O)[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSB P07858 1/20 0.37
TDP2 O95551 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13985456 0.91 KMO (0.45) KMOL3MBTL1SLC6A4SLC6A3MEN1
SCHEMBL4808176 0.85 CTSB (0.36) L3MBTL1SLC6A4SLC6A3CTSBALDH1A1
SCHEMBL13980100 0.85 CTSB (0.36) L3MBTL1SLC6A4SLC6A3CTSBALDH1A1
SCHEMBL4807249 0.85 CTSB (0.36) L3MBTL1SLC6A4SLC6A3CTSBALDH1A1
SCHEMBL4003598 0.76 CTSB (0.39) L3MBTL1SLC6A4SLC6A3CTSBALDH1A1
SCHEMBL4809892 0.74 ALDH1A1 (0.37) L3MBTL1ALDH1A1MAPT
SCHEMBL4809141 0.74 ALDH1A1 (0.37) L3MBTL1ALDH1A1MAPT
SCHEMBL13980101 0.74 ALDH1A1 (0.37) L3MBTL1ALDH1A1MAPT
SCHEMBL4807273 0.70 ALDH1A1 (0.42) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL436605 0.68 KMO (0.56) KMOSLC6A4SLC6A3MEN1KMT2A

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-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed