SCHEMBL5806586

SCHEMBL5806586

CC(C)(C)OC(=O)N1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
KLK7 P49862 6/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
SLC6A1 P30531 1/20 0.36
STS P08842 1/20 0.36
KLK5 Q9Y337 5/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
RIPK1 Q13546 1/20 0.35
RORC P51449 1/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
ABCB1 P08183 1/20 0.34

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
SCHEMBL5806582 1.00 GPR119 (0.39) GPR119KLK7KDM4EPKMWNT3
SCHEMBL7273493 0.83 SMN1; SMN2 (0.44) CYP2C19
SCHEMBL8863308 0.83 SMN1; SMN2 (0.44) CYP2C19
SCHEMBL25694076 0.81 CHRNB2 (0.50) GPR119KLK7KDM4EPKMHIF1A
SCHEMBL25694074 0.81 CHRNB2 (0.50) GPR119KLK7KDM4EPKMHIF1A
SCHEMBL19419776 0.81 KLK7 (0.51) GPR119KLK7STSKLK5PRSS1
SCHEMBL3728443 0.81 KLK7 (0.51) GPR119KLK7STSKLK5PRSS1
SCHEMBL15383781 0.81 KLK7 (0.51) GPR119KLK7STSKLK5PRSS1
SCHEMBL5807219 0.81 KLK7 (0.38) GPR119KLK7KDM4EPKMSLC6A1
SCHEMBL1150304 0.79 SMYD2 (0.38) GPR119KLK7KDM4EPKMWNT3

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
WO-2006105386-A1 CDK2 INHIBITORS GENENTECH, INC. (US) 2006-10-05 WO disclosed