SCHEMBL6771548

SCHEMBL6771548

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4cnc(SCCOS(C)(=O)=O)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
PLCG1 P19174 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 1/20 0.30

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
SCHEMBL7731889 0.91 ELANE (0.37) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7722340 0.90 ELANE (0.41) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7722386 0.89 L3MBTL1 (0.40) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7722347 0.88 ELANE (0.35) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7732306 0.87 PLCG1 (0.35) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7728033 0.86 ELANE (0.38) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL6622725 0.85 CACNA1C (0.34)
SCHEMBL7731948 0.85 PLCG1 (0.34) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL7729532 0.85 ELANE (0.35) ELANEPLCG1L3MBTL1HTR2A
SCHEMBL6770987 0.84 DPP8 (0.33) ELANEPLCG1HTR2A

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-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed