SCHEMBL27733231

SCHEMBL27733231

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSK P43235 4/20 0.56
CTSL P07711 2/20 0.56
CTSB P07858 2/20 0.56
ACE P12821 1/20 0.52
CCKAR P32238 2/20 0.50
CCKBR P32239 2/20 0.50
AKT1 P31749 1/20 0.50
SCN9A Q15858 1/20 0.49
REN P00797 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
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
SCHEMBL27753734 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBACE
SCHEMBL28778560 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBACE
SCHEMBL4224899 0.87 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL4219003 0.87 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL4214513 0.87 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL20630880 0.85 CTSS (0.53) CTSSCTSKCTSLCTSBCCKAR
SCHEMBL27733229 0.85 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL27753728 0.85 CTSS (0.65) CTSSCTSKCTSLCTSBACE
SCHEMBL19967948 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCCKAR
SCHEMBL5552103 0.82 KMT2A (0.55) 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
CN-101389599-A Modified amino acids UNIV WIEN TECH (AT) 2009-03-18 CN disclosed