SCHEMBL25967009

SCHEMBL25967009

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
ACACB O00763 3/20 0.38
MCL1 Q07820 3/20 0.38
CTSK P43235 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PSMB5 P28074 1/20 0.32
POLB P06746 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSS P25774 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25966636 0.78
SCHEMBL4322486 0.78
SCHEMBL3064459 0.78
SCHEMBL16648848 0.78
SCHEMBL22735780 0.78
SCHEMBL25967168 0.77 ACACB (0.36) ACACBMCL1CTSKCTSS
SCHEMBL11642485 0.77
SCHEMBL7604693 0.75
SCHEMBL875553 0.75
SCHEMBL27440714 0.74

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