SCHEMBL5240240

SCHEMBL5240240

CCc1nc(CC(C)(C)C)c(CNC(=O)OC(C)(C)C)c(-c2ccc(C)cc2)c1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.48
DPP9 Q86TI2 8/20 0.48
DPP8 Q6V1X1 6/20 0.48
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM4A O75164 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM2 Q14416 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 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
SCHEMBL5241529 0.90 DPP4 (0.46) DPP4DPP9DPP8KDM4AMAPT
SCHEMBL27723360 0.90 DPP4 (0.43) DPP4DPP9DPP8GRM2CYP1A2
SCHEMBL4112465 0.85 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL5239762 0.84 DPP4 (0.67) DPP4DPP9DPP8
SCHEMBL5240472 0.83 DPP4 (0.43) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL5242996 0.83 DPP4 (0.69) DPP4DPP9DPP8
SCHEMBL4117782 0.81 DPP4 (0.49) DPP4DPP9DPP8CCNCCDK8
SCHEMBL27665041 0.81 DPP4 (0.43) DPP4DPP9DPP8GRM2CYP1A2
SCHEMBL5451905 0.81 DPP4 (0.48) DPP4DPP9DPP8KDM4A
SCHEMBL5739223 0.80 DPP4 (0.44) DPP4DPP9DPP8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 EP disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 WO disclosed