SCHEMBL8690161

SCHEMBL8690161

CC(=O)SC1CC(CSCCC(=O)NCC(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL8690535 0.94 ALDH1A1 (0.36) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8690811 0.94 ALDH1A1 (0.36) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8694643 0.93 DPP8 (0.34) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8926050 0.92 ALDH1A1 (0.38) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8690375 0.92 HTT (0.35) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8693776 0.92 ALDH1A1 (0.38) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8691179 0.91 ALDH1A1 (0.35) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8692912 0.90 DPP4 (0.34) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8694755 0.90 DPP8 (0.36) ALDH1A1MAPTGAADPP8DPP9
SCHEMBL8690849 0.89 DPP8 (0.35) ALDH1A1MAPTGAADPP8DPP9

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-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed