SCHEMBL8692912

SCHEMBL8692912

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
ATM Q13315 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP9 Q86TI2 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 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
SCHEMBL8695345 0.92 ALDH1A1 (0.37) DPP4DPP7ATMFAPTDP1
SCHEMBL8690375 0.91 HTT (0.35) ATMDPP8TDP1ALDH1A1MAPT
SCHEMBL8690811 0.91 ALDH1A1 (0.36) ATMDPP8TDP1ALDH1A1MAPT
SCHEMBL8690535 0.91 ALDH1A1 (0.36) ATMDPP8TDP1ALDH1A1MAPT
SCHEMBL8694643 0.91 DPP8 (0.34) ATMDPP8TDP1ALDH1A1MAPT
SCHEMBL8690161 0.90 ALDH1A1 (0.34) ATMDPP8TDP1ALDH1A1MAPT
SCHEMBL8691179 0.90 ALDH1A1 (0.35) ATMDPP8TDP1ALDH1A1MAPT
SCHEMBL8694740 0.90 TDP1 (0.36) DPP4DPP7ATMFAPDPP8
SCHEMBL8691722 0.90 TDP1 (0.36) DPP4DPP7ATMFAPDPP8
SCHEMBL8694790 0.89 TDP1 (0.35) DPP4DPP7ATMFAPDPP8

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