SCHEMBL20332819

SCHEMBL20332819

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.53
▸ CTSS P25774 4/20 0.53
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CA2 P00918 2/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40

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
SCHEMBL38662206 0.96 CTSK (0.52) CTSKCTSSMEN1KMT2AATM
SCHEMBL38660733 0.90 CTSK (0.46) CTSKCTSSFNTAFNTBBACE1
SCHEMBL16092927 0.88 CTSK (0.51) CTSKCTSSMEN1KMT2AATM
SCHEMBL30402961 0.87 BACE1 (0.53) CTSKCTSSFNTAFNTBBACE1
SCHEMBL1487792 0.86 CTSK (0.51) CTSKCTSSMEN1KMT2A
SCHEMBL205184 0.86 CTSK (0.51) CTSKCTSSMEN1KMT2A
SCHEMBL205183 0.86 CTSK (0.51) CTSKCTSSMEN1KMT2A
SCHEMBL13436631 0.85 CTSS (0.52) CTSKCTSSMEN1KMT2AATM
SCHEMBL12283739 0.85 CTSS (0.52) CTSKCTSSMEN1KMT2AATM
SCHEMBL17581833 0.85 CTSS (0.52) CTSKCTSSMEN1KMT2AATM

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
WO-2018115203-A1 PEPTIDE DERIVATIVES HAVING NOVEL LINKAGE STRUCTURES Bicyclerd Limited (GB) 2018-06-28 — — WO disclosed
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