SCHEMBL4780340

SCHEMBL4780340

CC(O)Cn1cc(C(=O)O)nn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLS O94925 1/20 0.37
NAMPT P43490 1/20 0.36
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SCD O00767 1/20 0.34
CA5A P35218 1/20 0.34
TGM2 P21980 1/20 0.33
GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL22062686 0.88 DPP4 (0.46) DPP4MGAMGAASIMGAM2
SCHEMBL20364767 0.84 DPP4 (0.39) DPP4MGAMGAASIMGAM2
SCHEMBL20615481 0.83 DPP4 (0.40) DPP4MGAMGAASIMGAM2
SCHEMBL4781030 0.82 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31124067 0.81 DPP4 (0.49) DPP4MGAMGAASIMGAM2
SCHEMBL20368825 0.78 DPP4 (0.36) DPP4MGAMGAASIMGAM2
SCHEMBL6072289 0.78 ALDH1A1 (0.45) DPP4GAAALDH1A1LMNAMAPK1
SCHEMBL19050263 0.77 DPP4 (0.43) DPP4GLSCA5A
SCHEMBL4781660 0.76 GLS (0.41) MGAMGAASIMGAM2GLS
SCHEMBL29224209 0.76 DPP4 (0.42) DPP4MGAMGAASIMGAM2

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed