SCHEMBL9825859

SCHEMBL9825859

CCCCCCCCCCCC(CC(=O)OC(C)(C)C)O[C@@H]1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CCR2 P41597 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
CNR1 P21554 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30
EPHX2 P34913 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
SCHEMBL9826876 0.94 TP53 (0.34)
SCHEMBL9826951 0.91 FAAH (0.37) CNR1
SCHEMBL9457272 0.90 CTSK (0.34) NAAAMEN1KMT2ACTSKHDAC4
SCHEMBL9457276 0.90 CTSK (0.34) NAAAMEN1KMT2ACTSKHDAC4
SCHEMBL9457286 0.90 CTSK (0.34) NAAAMEN1KMT2ACTSKHDAC4
SCHEMBL9456952 0.88 MEN1 (0.36) NAAAMEN1KMT2ACTSKMMP1
SCHEMBL9649923 0.85 GPR84 (0.41) MEN1KMT2AMMP1MMP3
SCHEMBL9457193 0.85 GPR84 (0.41) MEN1KMT2AMMP1MMP3
SCHEMBL9457368 0.85 GPR84 (0.41) MEN1KMT2AMMP1MMP3
SCHEMBL9457380 0.85 GPR84 (0.41) MEN1KMT2AMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185359-B1 OXETANONE F. HOFFMANN-LA ROCHE AG (CH) 1991-12-04 EP disclosed
EP-0189577-A2 Process for the preparation of oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1986-08-06 EP disclosed
EP-0185359-A2 Oxetanone F. HOFFMANN-LA ROCHE AG (CH) 1986-06-25 EP disclosed