SCHEMBL25650692

SCHEMBL25650692

CC(C)(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H](C1CO)C2(C)C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ELANE P08246 1/20 0.40
CMA1 P23946 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSF Q9UBX1 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
SCHEMBL25650691 0.86 CTSV (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL25757795 0.86 CTSV (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL14513459 0.84 ELANE (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL25650737 0.84 CTSV (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL25757804 0.82 CTSV (0.45) CTSVCTSLCTSBELANECMA1
SCHEMBL13605066 0.80 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL8283446 0.79 CTSV (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL24486605 0.77 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL30556853 0.76 CTSV (0.45) CTSVCTSLCTSBELANECMA1
SCHEMBL30556789 0.75 CTSV (0.46) CTSVCTSLCTSBELANECMA1

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-2023114516-A2 CELL-PERMEANT INHIBITORS OF VIRAL CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-06-22 WO disclosed