SCHEMBL11269593

SCHEMBL11269593

CCC(C)Oc1nc(O)nc(OC(C)CC)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK8 P45983 1/20 0.34
MCHR1 Q99705 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
SLC2A1 P11166 1/20 0.30
ACACB O00763 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL11274651 0.79 MCHR1 (0.36) MCHR1
SCHEMBL11273992 0.77 PARP10 (0.30)
SCHEMBL22102112 0.74 MCHR1 (0.33) TP53L3MBTL1MAPK8MCHR1ADORA2A
SCHEMBL13137619 0.74 SLC2A1 (0.36) TP53L3MBTL1MAPK8MCHR1ADORA2A
SCHEMBL11283937 0.73
SCHEMBL632491 0.67 MEN1 (0.43) L3MBTL1
SCHEMBL11274411 0.67 ESR1 (0.39) L3MBTL1MAPK8ADORA2AADORA2BCDK1
SCHEMBL11304537 0.64 TDP1 (0.37) MCHR1ADORA2AADORA2BCDK1CCNB1
SCHEMBL32688392 0.64
SCHEMBL19256892 0.63 ALDH1A1 (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
US-4320126-A INSECTICIDES, MITICIDES, NEMATOCIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-16 US disclosed