SCHEMBL4610559

SCHEMBL4610559

CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H]1CCCN1.C[C@@H](OC(=O)[C@@H](N)CCCCN)[C@H](N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.35
GSR P00390 1/20 0.32
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Proline SCHEMBL15941264 0.85 GSR (0.38) CPB2GSR
SCHEMBL1537324 0.81 DPP4 (0.39)
SCHEMBL1537462 0.81 DPP4 (0.39)
Threonine SCHEMBL4405364 0.80 DPP4 (0.34) MEN1KMT2A
SCHEMBL1537264 0.80 DPP7 (0.40) GSR
SCHEMBL11660663 0.80 DPP7 (0.40) GSR
SCHEMBL4241080 0.80 DPP7 (0.40) GSR
Lysine SCHEMBL9167627 0.79
Lysine SCHEMBL28414251 0.78 GSR (0.44) CPB2GSR
Lysine SCHEMBL3135103 0.78 GSR (0.44) CPB2GSR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498476-B1 MUTATED ALKALINE CELLULASE KAO CORP (JP) 2008-10-15 EP claimed
US-7364891-B2 Mutated alkaline cellulase KAO CORPORATION (JP) 2008-04-29 US claimed
EP-1498476-B1 MUTATED ALKALINE CELLULASE KAO CORP (JP) 2008-10-15 EP disclosed
US-7364891-B2 Mutated alkaline cellulase KAO CORPORATION (JP) 2008-04-29 US disclosed
US-20050287656-A1 Mutated alkaline cellulase KAO CORPORATION (JP) 2005-12-29 US disclosed
EP-1498476-A1 MUTATED ALKALINE CELLULASE Kao Corporation (JP) 2005-01-19 EP disclosed