SCHEMBL2237495

SCHEMBL2237495

CC(C)(C)OC(=O)CNC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.49
DPP8 Q6V1X1 6/20 0.48
DPP9 Q86TI2 6/20 0.48
FAP Q12884 1/20 0.46
EPHX2 P34913 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
DPP7 Q9UHL4 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
MDH1 P40925 1/20 0.42
MDH2 P40926 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
SCHEMBL12354573 0.85 DPP4 (0.53) DPP4DPP8DPP9FAPEPHX2
SCHEMBL2300337 0.85 EPHX2 (0.53) DPP4DPP8DPP9EPHX2MEN1
SCHEMBL27974243 0.82 DPP4 (0.50) DPP4DPP8DPP9FAPEPHX2
SCHEMBL12735378 0.79 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL160300 0.79 DPP4 (0.58) DPP4DPP8DPP9FAPDPP7
SCHEMBL13287421 0.78 MEN1 (0.55) DPP8DPP9EPHX2ITGB3ITGA2B
SCHEMBL17057322 0.77 EPHX2 (0.49) DPP4DPP8DPP9FAPEPHX2
SCHEMBL10487757 0.77 EPHX2 (0.42) DPP4DPP8DPP9EPHX2ITGB3
SCHEMBL16087541 0.73 DPP4 (0.53) DPP4DPP8DPP9FAPEPHX2
SCHEMBL16659674 0.72 DPP4 (0.41) DPP4DPP8DPP9FAPEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011101861-A1 PROCESS FOR PREPARATION OF DPP-IV INHIBITORS MSN LABORATORIES LIMITED (IN) 2011-08-25 WO claimed
WO-2011101861-A1 PROCESS FOR PREPARATION OF DPP-IV INHIBITORS MSN LABORATORIES LIMITED (IN) 2011-08-25 WO disclosed
WO-2011101861-A1 PROCESS FOR PREPARATION OF DPP-IV INHIBITORS MSN LABORATORIES LIMITED (IN) 2011-08-25 WO disclosed