SCHEMBL10448402

SCHEMBL10448402

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.60
PSEN1 P49768 4/20 0.55
PSEN2 P49810 4/20 0.55
APH1B Q8WW43 4/20 0.55
NCSTN Q92542 4/20 0.55
APH1A Q96BI3 4/20 0.55
PSENEN Q9NZ42 4/20 0.55
APP P05067 1/20 0.55
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
BACE1 P56817 2/20 0.49
REN P00797 2/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL7392856 0.87 KLK5 (0.67) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL10722177 0.86 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6430793 0.86 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL3361485 0.85 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL720790 0.84 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9394616 0.84 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5619596 0.84 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5861336 0.83 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7797841 0.82 KLK5 (0.62) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7299571 0.82 ATM (0.62) KLK5PSEN1PSEN2APH1BNCSTN

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-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed