SCHEMBL27348491

SCHEMBL27348491

CCOC(=O)[C@@H]1C2C(CN1C(=O)CC(C)(C)C)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.33
FKBP1A P62942 2/20 0.33
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
ELANE P08246 1/20 0.32
CMA1 P23946 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CTSF Q9UBX1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1A O00555 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNB1 Q02641 1/20 0.31

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
SCHEMBL25879033 0.86 CTSV (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL25076008 0.86 CTSV (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL25879035 0.82 CTSV (0.32) CTSVCTSLCTSBELANECMA1
SCHEMBL28727123 0.82 MEN1 (0.38) MAPTLMNAFKBP1ACTSLALDH1A1
SCHEMBL4300634 0.82 MEN1 (0.38) MAPTLMNAFKBP1ACTSLALDH1A1
SCHEMBL25757804 0.80 CTSV (0.45) CTSVCTSLCTSBELANECMA1
SCHEMBL25076301 0.79 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL27348568 0.77 MAPT (0.35) MAPTLMNAFKBP1AALDH1A1MEN1
SCHEMBL27351734 0.72
SCHEMBL30556956 0.72 CTSV (0.40) 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-2023245162-A2 COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed