SCHEMBL13985456

SCHEMBL13985456

CCOC(=O)C(CC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.40
TDP2 O95551 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13985455 0.91 KMO (0.40) KMOL3MBTL1SLC6A4SLC6A3MEN1
SCHEMBL4003598 0.83 CTSB (0.39) L3MBTL1SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL4807273 0.78 ALDH1A1 (0.42) L3MBTL1MEN1KMT2ANPC1ALDH1A1
SCHEMBL4808176 0.76 CTSB (0.36) L3MBTL1SLC6A4SLC6A3ALDH1A1
SCHEMBL13980100 0.76 CTSB (0.36) L3MBTL1SLC6A4SLC6A3ALDH1A1
SCHEMBL4807249 0.76 CTSB (0.36) L3MBTL1SLC6A4SLC6A3ALDH1A1
SCHEMBL7632409 0.74 FFAR1 (0.52) SLC6A4SLC6A3ALDH1A1
SCHEMBL436605 0.73 KMO (0.56) KMOSLC6A4SLC6A3MEN1KMT2A
SCHEMBL3678015 0.72 KMO (0.63) KMOMEN1KMT2A
SCHEMBL728115 0.72 KMO (0.63) KMOMEN1KMT2A

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