SCHEMBL8925688

SCHEMBL8925688

CC(=O)S[C@H]1C[C@@H](CSCCC(=O)N(C)C#N)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
FAP Q12884 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CCR5 P51681 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL8692909 1.00 DPP4 (0.34) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8922061 0.92 DPP4 (0.35) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8694737 0.90 ALDH1A1 (0.35) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8694786 0.89 ALDH1A1 (0.35) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8923169 0.89 ALDH1A1 (0.35) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8921863 0.88 ALDH1A1 (0.35) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8690156 0.88 ALDH1A1 (0.35) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8692912 0.86 DPP4 (0.34) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8924025 0.85 ALDH1A1 (0.35) DPP4DPP7FAPALDH1A1ATM
SCHEMBL8689886 0.85 ALDH1A1 (0.35) DPP4DPP7FAPALDH1A1ATM

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
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed