SCHEMBL29616779

SCHEMBL29616779

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nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
FAP Q12884 1/20 0.48
SLC7A5 Q01650 1/20 0.46
CRBN Q96SW2 1/20 0.42
TAS2R38 P59533 1/20 0.39
LAP3 P28838 1/20 0.33
LMNA P02545 1/20 0.32
SLC15A1 P46059 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 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
SCHEMBL29616790 0.83 CRBN (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL21356918 0.82 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL20873398 0.81 CRBN (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL5058120 0.80 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL28728166 0.80 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL28728167 0.80 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL21788327 0.79 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL20717738 0.79
SCHEMBL29616787 0.79
SCHEMBL19115938 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO claimed
WO-2022106630-A1 STABLE FORMULATIONS COMPRISING PIPERACILLIN AND/OR TAZOBACTAM XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO claimed
WO-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO disclosed
WO-2022106630-A1 STABLE FORMULATIONS COMPRISING PIPERACILLIN AND/OR TAZOBACTAM XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO disclosed