SCHEMBL11599759

SCHEMBL11599759

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.55
CTSK P43235 6/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 2/20 0.55
ACE P12821 1/20 0.51
REN P00797 2/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.48
FOLH1 Q04609 1/20 0.48
AKT1 P31749 1/20 0.47
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL5048302 0.89 REN (0.62) CTSSCTSKCTSLCTSBREN
SCHEMBL8526673 0.89 REN (0.62) CTSSCTSKCTSLCTSBREN
SCHEMBL7295855 0.89 CTSS (0.69) CTSSCTSKCTSLCTSBACE
SCHEMBL5050550 0.89 CTSS (0.69) CTSSCTSKCTSLCTSBACE
SCHEMBL7295862 0.89 CTSS (0.69) CTSSCTSKCTSLCTSBACE
SCHEMBL1323164 0.85 NAALAD2 (0.66) CTSSCTSKCTSLCTSBACE
SCHEMBL8684458 0.85 NAALAD2 (0.66) CTSSCTSKCTSLCTSBACE
SCHEMBL20836770 0.85 NAALAD2 (0.66) CTSSCTSKCTSLCTSBACE
SCHEMBL9439238 0.85 NAALAD2 (0.66) CTSSCTSKCTSLCTSBACE
SCHEMBL3922795 0.84 CTSS (0.60) CTSSCTSKCTSLCTSBACE

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
US-4089821-A Synthesis of peptide amides ARMOUR PHARMACEUTICAL COMPANY (US) 1978-05-16 US disclosed