SCHEMBL6605416

SCHEMBL6605416

CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.49
PREP P48147 2/20 0.43
KLK5 Q9Y337 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6531013 0.88 MMP1 (0.43) KLK5ALDH1A1MAPTDPP4DPP8
SCHEMBL6787227 0.87 FKBP1A (0.64) FKBP1APREPKLK5
SCHEMBL1997241 0.87 FKBP1A (0.64) FKBP1APREPKLK5
SCHEMBL1997238 0.87 FKBP1A (0.64) FKBP1APREPKLK5
SCHEMBL6603737 0.82 DPP4 (0.47) FKBP1APREPDPP4DPP8DPP7
SCHEMBL7454452 0.80 DPP8 (0.44) FKBP1AALDH1A1MAPTDPP4DPP8
SCHEMBL6601649 0.79 DPP8 (0.45) FKBP1AALDH1A1DPP4DPP8DPP7
SCHEMBL6606642 0.79 DPP8 (0.45) FKBP1AALDH1A1DPP4DPP8DPP7
SCHEMBL7295710 0.79 PREP (0.62) FKBP1APREPKLK5ALDH1A1TSHR
SCHEMBL11438917 0.78 CMA1 (0.53) KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924210-B1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives WYETH K K (JP) 2004-08-18 EP disclosed
EP-0632039-B1 2-[1-(1,3-Thiazolin-2-yl)azetidin-3-yl]thio-carbapenem derivatives WYETH LEDERLE JAPAN LTD (JP) 2002-01-30 EP disclosed
EP-0924210-A1 2-(1-(1,3-Thiazolin-2-yl)azetidin-3-yl)thio-carbapenem derivatives LEDERLE (JAPAN), Ltd. (JP) 1999-06-23 EP disclosed
US-5783703-A CARBAPENEM INTERMEDIATES LEDERLE (JAPAN), LTD. (JP) 1998-07-21 US disclosed
US-5679790-A ANTIBIOTICS, BACTERICIDES LEDERLE (JAPAN), LTD. (JP) 1997-10-21 US disclosed
US-5534510-A ORALLY ADMINISTRABLE THIENAMYCIN ANTIBIOTICS; BETA-LACTAMASE INHIBITORS LEDERLE (JAPAN), LTD. (JP) 1996-07-09 US disclosed