SCHEMBL9546595

SCHEMBL9546595

CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 1/20 0.52
ELANE P08246 2/20 0.47
PREP P48147 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CTSS P25774 1/20 0.44
TSHR P16473 1/20 0.42
CMA1 P23946 6/20 0.42
HDAC8 Q9BY41 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 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
SCHEMBL6740347 0.84 CMA1 (0.53) CTSKCTSLCTSBELANEPREP
SCHEMBL6294320 0.81 CTSL (0.53) CTSKCTSLCTSBELANEPREP
SCHEMBL13885550 0.81 CTSL (0.53) CTSKCTSLCTSBELANEPREP
SCHEMBL2775499 0.81 KMT2A (0.55) CTSKCTSLCTSBELANEPREP
SCHEMBL6424293 0.80 CTSL (0.49) CTSKCTSLCTSBELANEPREP
SCHEMBL27629823 0.80 CTSL (0.49) CTSKCTSLCTSBELANEPREP
SCHEMBL6427701 0.80 CTSL (0.49) CTSKCTSLCTSBELANEPREP
SCHEMBL4192198 0.80 CTSL (0.49) CTSKCTSLCTSBELANEPREP
SCHEMBL8168155 0.79 CMA1 (0.61) CTSKCTSLCTSBELANECMA1
SCHEMBL13258959 0.79 CMA1 (0.51) CTSKCTSLCTSBELANECMA1

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-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed