SCHEMBL8689889

SCHEMBL8689889

CS(=O)(=O)OC1CC(CSCCC(=O)NCC#N)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.33
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.32
OPRK1 P41145 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
FAP Q12884 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9390647 0.92 ALDH1A1 (0.36) CCR5DPP4DPP7TDP1ALDH1A1
SCHEMBL8694956 0.92 ALDH1A1 (0.36) CCR5DPP4DPP7TDP1ALDH1A1
SCHEMBL8694255 0.90 CCR5 (0.33) CCR5DPP8ALDH1A1OPRK1MAPT
SCHEMBL8694790 0.89 TDP1 (0.35) DPP4DPP7DPP8TDP1ALDH1A1
SCHEMBL8694740 0.88 TDP1 (0.36) DPP4DPP7DPP8TDP1ALDH1A1
SCHEMBL8691722 0.88 TDP1 (0.36) DPP4DPP7DPP8TDP1ALDH1A1
SCHEMBL8924025 0.87 ALDH1A1 (0.35) CCR5DPP4DPP7TDP1ALDH1A1
SCHEMBL8689886 0.87 ALDH1A1 (0.35) CCR5DPP4DPP7TDP1ALDH1A1
SCHEMBL8692051 0.86 ALDH1A1 (0.34) CCR5DPP4DPP7DPP8TDP1
SCHEMBL8924036 0.85 TDP1 (0.34) CCR5DPP4DPP7DPP8TDP1

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