SCHEMBL7326356

SCHEMBL7326356

COC(=O)C(NC(=O)[C@@](NC(=O)C1CCCC1)(C(C)C)C(O)C(Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N(C(C)=O)C(=O)[C@@H](N)COCc1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.39
PSEN1 P49768 6/20 0.37
PSEN2 P49810 6/20 0.37
APH1B Q8WW43 6/20 0.37
NCSTN Q92542 6/20 0.37
APH1A Q96BI3 6/20 0.37
PSENEN Q9NZ42 6/20 0.37
KLK5 Q9Y337 1/20 0.36
ELANE P08246 1/20 0.35
CALCRL Q16602 2/20 0.35
CTSE P14091 3/20 0.35
PGC P20142 1/20 0.35
BACE1 P56817 2/20 0.35
RAMP1 O60894 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL7331112 0.85 CTSD (0.43) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7329267 0.84 REN (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7330454 0.83 PSEN1 (0.40) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7321670 0.81 PSEN1 (0.43) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7329194 0.79 CDYL2 (0.43) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7322717 0.78 PSEN1 (0.51) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7322778 0.77 PSEN1 (0.44) CTSDPSEN1PSEN2APH1BNCSTN
SCHEMBL7330442 0.77 ANPEP (0.45) CTSDKLK5CYP2C19SMN1; SMN2
SCHEMBL7324985 0.77 ANPEP (0.45) CTSDKLK5CYP2C19SMN1; SMN2
SCHEMBL10378689 0.73 PSEN1 (0.45) CTSDPSEN1PSEN2APH1BNCSTN

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
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed