SCHEMBL8690163

SCHEMBL8690163

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.33
CTSL P07711 2/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 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
SCHEMBL8921870 1.00 HTR2A (0.35) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8692917 0.89 DPP4 (0.36) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8925692 0.89 DPP4 (0.36) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL9388494 0.89 HTR2A (0.37) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8690852 0.89 HTR2A (0.37) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8694762 0.89 HTR2A (0.37) HTR2ADPP8DPP9ALDH1A1MAPT
SCHEMBL8926050 0.87 ALDH1A1 (0.38) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8693776 0.87 ALDH1A1 (0.38) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8690161 0.85 ALDH1A1 (0.34) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8924394 0.85 HTR2A (0.34) HTR2ADPP8DPP9ALDH1A1MAPT

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