SCHEMBL12354573

SCHEMBL12354573

COC(=O)CNC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.53
DPP8 Q6V1X1 5/20 0.49
DPP9 Q86TI2 4/20 0.49
FAP Q12884 1/20 0.49
DPP7 Q9UHL4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GLMN Q92990 1/20 0.44
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40

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
SCHEMBL27974243 0.87 DPP4 (0.50) DPP4DPP8DPP9FAPDPP7
SCHEMBL2237495 0.85 DPP4 (0.49) DPP4DPP8DPP9FAPDPP7
SCHEMBL12735378 0.84 DPP4 (0.56) DPP4DPP8DPP9FAPDPP7
SCHEMBL160300 0.83 DPP4 (0.58) DPP4DPP8DPP9FAPDPP7
SCHEMBL7438003 0.83 DPP4 (0.53) DPP4EPHX2CA12CA2CA7
SCHEMBL17057322 0.82 EPHX2 (0.49) DPP4DPP8DPP9FAPALDH1A1
SCHEMBL16087541 0.77 DPP4 (0.53) DPP4DPP8DPP9FAPDPP7
SCHEMBL15114218 0.76 GRIN2D (0.47) DPP4DPP8DPP9FAPALDH1A1
SCHEMBL2853219 0.76 DPP4 (0.50) DPP4DPP8DPP9FAPDPP7
SCHEMBL5608094 0.76 ALDH1A1 (0.47) DPP4DPP8DPP9DPP7ALDH1A1

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