SCHEMBL23467149

SCHEMBL23467149

CCN(CC)C(=O)C(O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
HTT P42858 2/20 0.35
HTR1A P08908 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL9689376 0.87 LMNA (0.42) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL17652005 0.79 LMNA (0.40) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL1964784 0.79 LMNA (0.40) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL18098236 0.79 LMNA (0.40) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL1615608 0.79 LMNA (0.40) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL300008 0.77 SMN1; SMN2 (0.39) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL3200366 0.76 LMNA (0.42) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL16160320 0.75 DPP4 (0.37) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL3898588 0.74 LMNA (0.40) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL1619583 0.73 DPP4 (0.47) DPP4LMNAALDH1A1MMP1MMP2

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-2021112251-A1 AZETIDINE SULFONAMIDE COMPOUND 第一三共株式会社 2021-06-10 WO disclosed