SCHEMBL8690723

SCHEMBL8690723

CN(C#N)C(=O)CSCC1CC(O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CCR5 P51681 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.34
OPRK1 P41145 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.32
HTR2A P28223 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
SCHEMBL8923169 0.92 ALDH1A1 (0.35) ALDH1A1MAPTHPGDDPP4FAP
SCHEMBL8694786 0.92 ALDH1A1 (0.35) ALDH1A1MAPTHPGDDPP4FAP
SCHEMBL8690260 0.92 ALDH1A1 (0.36) ALDH1A1MAPTHPGDDPP4FAP
SCHEMBL8923238 0.92 ALDH1A1 (0.36) ALDH1A1MAPTHPGDDPP4FAP
SCHEMBL9390642 0.89 ALDH1A1 (0.36) ALDH1A1MAPTHPGDDPP4FAP
SCHEMBL8694954 0.89 ALDH1A1 (0.36) ALDH1A1MAPTHPGDDPP4FAP
SCHEMBL8922061 0.89 DPP4 (0.35) ALDH1A1MAPTHPGDDPP4FAP
SCHEMBL8691040 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8925226 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8690774 0.85 CCR5 (0.34) ALDH1A1MAPTHPGDDPP4FAP

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