SCHEMBL13664874

SCHEMBL13664874

COC(=O)C(Cc1ccccc1)N(CCCN)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
EPOR P19235 3/20 0.43
ANPEP P15144 3/20 0.43
KLK5 Q9Y337 2/20 0.41
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL13664816 0.83 MAPT (0.48) KLK5POLB
SCHEMBL7299632 0.82 ITGA4 (0.46) ITGA4ITGB7KLK5ATMPOLB
SCHEMBL6442123 0.82 ITGA4 (0.46) ITGA4ITGB7KLK5ATMPOLB
SCHEMBL8622055 0.82 EPOR (0.53) ITGA4ITGB7EPORANPEPKLK5
SCHEMBL7293819 0.81 ITGA4 (0.44) ITGA4ITGB7KLK5ATML3MBTL1
SCHEMBL6593761 0.81 ITGA4 (0.44) ITGA4ITGB7KLK5ATML3MBTL1
SCHEMBL6593765 0.81 ITGA4 (0.44) ITGA4ITGB7KLK5ATML3MBTL1
SCHEMBL17137969 0.80 ITGA4 (0.50) ITGA4ITGB7KLK5ATMPOLB
SCHEMBL7609380 0.80 ITGA4 (0.50) ITGA4ITGB7KLK5ATMPOLB
SCHEMBL13163803 0.80 ITGA4 (0.50) ITGA4ITGB7KLK5ATMPOLB

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed