SCHEMBL12993286

SCHEMBL12993286

CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1N[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
TLR2 O60603 2/20 0.39
TLR1 Q15399 1/20 0.39
MDM2 Q00987 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 1/20 0.37
IDO1 P14902 3/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL13039515 1.00 BACE1 (0.47) BACE1TLR2TLR1MDM2GPR119
SCHEMBL10169332 0.87 BACE1 (0.42) BACE1TLR2TLR1GPR119KDM4E
SCHEMBL31340345 0.82 BACE1 (0.43) BACE1GPR119KDM4EIDO1
SCHEMBL19814665 0.80 GPR119 (0.48) GPR119KDM4ESTS
SCHEMBL1219498 0.80 GPR119 (0.48) GPR119KDM4ESTS
SCHEMBL3333844 0.80 GPR119 (0.48) GPR119KDM4ESTS
SCHEMBL1218708 0.80 GPR119 (0.48) GPR119KDM4ESTS
SCHEMBL19814663 0.80 GPR119 (0.48) GPR119KDM4ESTS
SCHEMBL21197779 0.80 GPR119 (0.48) GPR119KDM4ESTS
SCHEMBL1218706 0.80 GPR119 (0.48) GPR119KDM4ESTS

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-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed