SCHEMBL9811322

SCHEMBL9811322

CC(C)(C)[Si](C)(C)OCC[C@@H](O)CN1CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2C19 P33261 1/20 0.33
PIK3CD O00329 1/20 0.33
PER2 O15055 9/20 0.33
DUT P33316 2/20 0.33
RCE1 Q9Y256 1/20 0.32
GAA P10253 1/20 0.31
CRY2 Q49AN0 2/20 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
SCHEMBL9764243 0.78 DUT (0.40) MEN1KMT2ANPC1DUTGAA
SCHEMBL8865301 0.74 DUT (0.44) NPC1DUTGAA
SCHEMBL10415297 0.72 LMNA (0.35) DUT
SCHEMBL10416085 0.72 LMNA (0.35) DUT
SCHEMBL4711900 0.71 KMT2A (0.48) KMT2ANPC1DUT
SCHEMBL21389245 0.70 KMT2A (0.42) MEN1KMT2ANPC1PIK3CDDUT
SCHEMBL10724599 0.69 PIK3CD (0.33) PIK3CD
SCHEMBL23042973 0.69
SCHEMBL14119498 0.69
SCHEMBL16709051 0.69 TSHR (0.30)

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-0223588-B1 PROCESS FOR THE PREPARATION OF BETA-LACTAM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-12 EP disclosed