SCHEMBL8101422

SCHEMBL8101422

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C1CC2CCC(C1)N2C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
ELOVL6 Q9H5J4 1/20 0.40
CMA1 P23946 10/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CTRC Q99895 1/20 0.36
ELANE P08246 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL3800885 0.97 DPP4 (0.44) DPP4SPHK2SPHK1ELOVL6CMA1
SCHEMBL3741039 0.92 CMA1 (0.44) DPP4ELOVL6CMA1ALDH1A1PPARG
SCHEMBL3747942 0.92 KLK5 (0.44) DPP4ELOVL6CMA1GAATDP1
SCHEMBL3744756 0.88 ELOVL6 (0.40) DPP4ELOVL6GAATDP1KDM4E
SCHEMBL3749600 0.87 ELOVL6 (0.39) DPP4SPHK2SPHK1ELOVL6GAA
SCHEMBL3749602 0.87 DPP4 (0.53) DPP4ELOVL6
SCHEMBL8099472 0.86 DPP4 (0.43) DPP4SPHK2SPHK1ELOVL6GAA
SCHEMBL3742876 0.85 ELOVL6 (0.39) DPP4ELOVL6GAATDP1KDM4E
SCHEMBL8091388 0.85 ELOVL6 (0.39) DPP4SPHK2SPHK1ELOVL6CMA1
SCHEMBL3802747 0.84 DPP4 (0.52) DPP4ELOVL6

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-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO disclosed