SCHEMBL8923133

SCHEMBL8923133

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
OPRK1 P41145 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ATM Q13315 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL8690173 1.00 HTR2A (0.38) HTR2AALDH1A1MAPTHPGDOPRK1
SCHEMBL8690188 0.89 HTR2A (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8922847 0.89 HTR2A (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL9519619 0.86 TDP1 (0.39) HTR2AALDH1A1MAPTHPGDOPRK1
SCHEMBL9202417 0.84 ALDH1A1 (0.35) HTR2AALDH1A1MAPTHPGDOPRK1
SCHEMBL8693559 0.84 ALDH1A1 (0.35) HTR2AALDH1A1MAPTHPGDOPRK1
SCHEMBL9640607 0.83 ALDH1A1 (0.42) HTR2AALDH1A1MAPTHPGDOPRK1
SCHEMBL10739299 0.83 ALDH1A1 (0.42) HTR2AALDH1A1MAPTHPGDOPRK1
SCHEMBL8690166 0.83 ALDH1A1 (0.38) HTR2AALDH1A1MAPTHPGDOPRK1
SCHEMBL8923130 0.83 ALDH1A1 (0.38) HTR2AALDH1A1MAPTHPGDOPRK1

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