SCHEMBL28525265

SCHEMBL28525265

CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.59
PSEN1 P49768 12/20 0.58
PSEN2 P49810 12/20 0.58
APH1B Q8WW43 12/20 0.58
NCSTN Q92542 12/20 0.58
APH1A Q96BI3 12/20 0.58
PSENEN Q9NZ42 12/20 0.58
APP P05067 1/20 0.58

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
SCHEMBL28525267 1.00 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL28525268 1.00 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL23302438 0.93 PSEN1 (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL11095014 0.93 PSEN1 (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL14725527 0.93 PSEN1 (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL27041288 0.93 PSEN1 (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL11089707 0.89 PSEN1 (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL22393402 0.89 PSEN1 (0.67) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL21012316 0.89 REN (0.60) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL17899496 0.88 PSEN1 (0.63) RENPSEN1PSEN2APH1BNCSTN

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
CN-112125951-A Impurities in ubenimex bulk drug and preparation method thereof 深圳万乐药业有限公司 2020-12-25 CN disclosed