SCHEMBL8922841

SCHEMBL8922841

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
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
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 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
SCHEMBL8690179 1.00 ATM (0.36) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL10391487 0.89 ALDH1A1 (0.38) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL8690166 0.88 ALDH1A1 (0.38) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL8923130 0.88 ALDH1A1 (0.38) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL10371377 0.87 ALDH1A1 (0.39) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL8690535 0.86 ALDH1A1 (0.36) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL8690375 0.86 HTT (0.35) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL8690811 0.86 ALDH1A1 (0.36) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL10861401 0.85 ALDH1A1 (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9368309 0.85 ALDH1A1 (0.41) ATMALDH1A1MAPTHPGDTDP1

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