SCHEMBL28819072

SCHEMBL28819072

CCCCC(Cl)OC(=O)[C@@H](N)[C@@H](C)CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
DPP4 P27487 7/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 4/20 0.37
DPP7 Q9UHL4 2/20 0.37
SLC15A1 P46059 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL27193080 0.87 DPP7 (0.43) CA2CA1DPP4DPP8DPP9
SCHEMBL28254027 0.87 SLC15A1 (0.38) CA2CA1DPP4DPP8DPP9
SCHEMBL28014256 0.83 SLC15A1 (0.43) CA2CA1DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28481819 0.81 SLC15A1 (0.42) CA2CA1DPP4DPP8DPP9
SCHEMBL28942348 0.81 CA1 (0.40) CA2CA1TSHRCYP3A4ATM
SCHEMBL8121585 0.81 CA1 (0.39) CA2CA1DPP4DPP8DPP9
SCHEMBL8121582 0.81 CA1 (0.39) CA2CA1DPP4DPP8DPP9
SCHEMBL8121587 0.79 CTSK (0.40) CA2CA1DPP4DPP8DPP9
SCHEMBL27923447 0.79 CA2 (0.41) CA2CA1TSHRCYP3A4ATM
SCHEMBL28005991 0.79 CA2 (0.41) CA2CA1TSHRCYP3A4ATM

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
CN-104607163-A Micro-chiral adjusting cellulose chromatography stationary phase, as well as preparation method and application thereof BEIJING SCIENCE & TECH 2015-05-13 CN disclosed