SCHEMBL8201106

SCHEMBL8201106

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
HTR2A P28223 1/20 0.33
ELANE P08246 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
HTT P42858 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
SCHEMBL7732212 0.92 PLCG1 (0.35) PLCG1HTR2AELANEL3MBTL1HTT
SCHEMBL6887593 0.92 PLCG1 (0.35) PLCG1HTR2AELANEL3MBTL1HTT
SCHEMBL7636272 0.91 PLCG1 (0.35) PLCG1HTR2AELANEL3MBTL1HTT
SCHEMBL7722557 0.90 PLCG1 (0.34) PLCG1HTR2AELANEL3MBTL1HTT
SCHEMBL7728957 0.88 PLCG1 (0.37) PLCG1HTR2AELANEL3MBTL1HTT
SCHEMBL7732153 0.87 PLCG1 (0.34) PLCG1HTR2AELANE
SCHEMBL7734400 0.87 PLCG1 (0.36) PLCG1HTR2AELANEL3MBTL1HTT
SCHEMBL7958911 0.87 PLCG1 (0.36) PLCG1HTR2AELANEL3MBTL1HTT
SCHEMBL6893286 0.87 PLCG1 (0.33) PLCG1HTR2AELANE
SCHEMBL7631759 0.87 PLCG1 (0.36) PLCG1HTR2AELANEL3MBTL1HTT

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
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed