SCHEMBL17844339

SCHEMBL17844339

CC(C)(C)OC(=O)N1CCC(COc2cc(C(=O)O)ccc2OCCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
SLC2A1 P11166 1/20 0.46
GPR119 Q8TDV5 7/20 0.46
CSF1R P07333 1/20 0.46
YAP1 P46937 2/20 0.44
STS P08842 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
CHEK2 O96017 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4431949 0.85 PDE4A (0.57) KDM4EPKMSLC2A1GPR119CSF1R
SCHEMBL17835708 0.83 KDM4E (0.48) KDM4EPKMSLC2A1GPR119CSF1R
SCHEMBL29992791 0.77 SLC2A1 (0.56) KDM4EPKMSLC2A1GPR119CSF1R
SCHEMBL15996233 0.77 SLC2A1 (0.56) KDM4EPKMSLC2A1GPR119CSF1R
SCHEMBL19610219 0.77 GPR119 (0.45) KDM4EPKMSLC2A1GPR119CSF1R
SCHEMBL21473562 0.77 PDE4B (0.56) KDM4EPKMSLC2A1GPR119STS
SCHEMBL1056543 0.77 PDE4B (0.54) KDM4EPKMSLC2A1GPR119STS
SCHEMBL30015882 0.77 PDE4B (0.56) KDM4EPKMSLC2A1GPR119STS
SCHEMBL2129649 0.77 GPR119 (0.57) KDM4EPKMGPR119PDE4APDE4B
SCHEMBL65285 0.77 GPR119 (0.59) KDM4EPKMSLC2A1GPR119CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed