SCHEMBL25510474

SCHEMBL25510474

CC(C)CC(=O)N1CCOC1=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 12/20 0.54
FAAH O00519 6/20 0.45
PIK3CD O00329 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL23436549 0.83 NAAA (0.49) NAAAFAAH
SCHEMBL8157454 0.82 NAAA (0.55) NAAAFAAH
SCHEMBL30235921 0.79 NAAA (0.46) NAAAFAAHPIK3CD
SCHEMBL675612 0.79 NAAA (0.64) NAAAFAAH
SCHEMBL7598396 0.76 SMN1; SMN2 (0.44) ALDH1A1
SCHEMBL13168689 0.76 NAAA (0.56) NAAAFAAH
SCHEMBL12999946 0.76 NAAA (0.75) NAAAFAAH
SCHEMBL3851736 0.76 NAAA (0.56) NAAAFAAH
SCHEMBL3879215 0.75 NAAA (0.50) NAAAFAAH
SCHEMBL14401456 0.75 NAAA (0.59) NAAAFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023084124-A1 NOVEL BETA-LACTONE INHIBITORS OF HYDROLYTIC ENZYMES AND THEIR MEDICAL AND NON MEDICAL USES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-19 WO disclosed
EP-4180035-A1 NOVEL BETA-LACTONE INHIBITORS OF HYDROLYTIC ENZYMES AND THEIR MEDICAL AND NON MEDICAL USES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-17 EP disclosed