SCHEMBL25967168

SCHEMBL25967168

CC(CC#N)NC(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
CTSS P25774 5/20 0.33
CTSK P43235 5/20 0.33
DPP4 P27487 1/20 0.32
MCL1 Q07820 1/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL16648848 0.80
SCHEMBL22735780 0.80
SCHEMBL25966636 0.80
SCHEMBL3064459 0.80
SCHEMBL4322486 0.80
SCHEMBL11642485 0.78
SCHEMBL25967009 0.77 CYP2C9 (0.42) ACACBCTSSCTSKMCL1
SCHEMBL23894819 0.75 CTSS (0.35) CTSSCTSKDPP4MCL1CTSL
SCHEMBL22387540 0.74 ACACB (0.37) ACACBCNR2
SCHEMBL8459221 0.72 CNR1 (0.41) ACACBCNR2

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
EP-4215530-A1 ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-07-26 EP disclosed