SCHEMBL28650978

SCHEMBL28650978

CC(C)(C)NC(=O)O[C@H](C(=O)N1CCCC1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.37
DPP7 Q9UHL4 12/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
PREP P48147 4/20 0.34
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 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
SCHEMBL28655579 1.00 DPP4 (0.37) DPP4DPP7SMN1; SMN2LMNAALDH1A1
SCHEMBL28192422 1.00 DPP4 (0.37) DPP4DPP7SMN1; SMN2LMNAALDH1A1
SCHEMBL4703880 0.79 DPP4 (0.41) DPP4DPP7PREPKCNH2
SCHEMBL4703877 0.79 DPP4 (0.41) DPP4DPP7PREPKCNH2
SCHEMBL27910699 0.76 SMN1; SMN2 (0.32) SMN1; SMN2LMNA
SCHEMBL27656788 0.75 DPP4 (0.37) DPP4DPP7KCNH2
SCHEMBL28649921 0.74 DPP7 (0.46) DPP4DPP7TP53PREPKCNH2
SCHEMBL28929382 0.74 DPP7 (0.46) DPP4DPP7TP53PREPKCNH2
SCHEMBL28649924 0.74 DPP7 (0.46) DPP4DPP7TP53PREPKCNH2
SCHEMBL29168172 0.73 SMN1; SMN2 (0.33) SMN1; SMN2LMNA

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-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 CN disclosed