SCHEMBL8922847

SCHEMBL8922847

CC(=O)OC(C)SC[C@@H]1C[C@H](SC(C)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8690188 1.00 HTR2A (0.37) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8690173 0.89 HTR2A (0.38) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8923133 0.89 HTR2A (0.38) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10371377 0.85 ALDH1A1 (0.39) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL9368309 0.84 ALDH1A1 (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL10861401 0.84 ALDH1A1 (0.41) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8922841 0.83 ATM (0.36) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8690179 0.83 ATM (0.36) HTR2AATMALDH1A1MAPTHPGD
Methylamine SCHEMBL8106673 0.83 HTR2A (0.38) HTR2AATMALDH1A1MAPTHPGD
SCHEMBL8692917 0.83 DPP4 (0.36) HTR2AATMALDH1A1MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed
EP-0674640-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP (KR) 1995-10-04 EP disclosed
WO-1994014811-A1 2-(2-SUBSTITUTED PYRROLIDIN-4-YL)THIO-CARBAPENEM DERIVATIVES CHONG KUN DANG CORP. (KR) 1994-07-07 WO disclosed