SCHEMBL8689891

SCHEMBL8689891

CC(SCC1CC(OS(C)(=O)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)NCC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.34
ATM Q13315 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CCR5 P51681 3/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
CTSL P07711 1/20 0.32
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL8924036 1.00 TDP1 (0.34) TDP1HTR2AATMDPP4FAP
SCHEMBL8694261 0.90 HTR2A (0.34) HTR2ACCR5MMP2MMP9DPP8
SCHEMBL8924394 0.90 HTR2A (0.34) HTR2ACCR5MMP2MMP9DPP8
SCHEMBL8923174 0.89 TDP1 (0.37) TDP1HTR2AATMDPP4FAP
SCHEMBL8694799 0.89 TDP1 (0.37) TDP1HTR2AATMDPP4FAP
SCHEMBL8694742 0.88 TDP1 (0.37) TDP1HTR2AATMDPP4FAP
SCHEMBL8694956 0.86 ALDH1A1 (0.36) TDP1ATMDPP4FAPDPP7
SCHEMBL9390647 0.86 ALDH1A1 (0.36) TDP1ATMDPP4FAPDPP7
SCHEMBL8924553 0.86 ALDH1A1 (0.33) TDP1HTR2AATMDPP4FAP
SCHEMBL8689889 0.85 CCR5 (0.33) TDP1ATMDPP4FAPDPP7

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