SCHEMBL14517839

SCHEMBL14517839

C=CCOC(=O)C(N1C(=O)[C@H](C(C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
BCL2 P10415 6/20 0.33
NAMPT P43490 1/20 0.33
BECN1 Q14457 3/20 0.31
FAAH O00519 1/20 0.31
BTN3A1 O00481 1/20 0.30
ELANE P08246 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
SCHEMBL14517842 0.94 PRMT5 (0.33) IDO1NAMPTELANE
SCHEMBL14517815 0.92 CASP1 (0.36) NAMPTFAAHELANE
SCHEMBL5420765 0.91 BCL2 (0.35) IDO1BCL2FAAHELANE
SCHEMBL14517849 0.90 ELANE (0.32) NAMPTFAAHELANE
SCHEMBL14517824 0.90 ELANE (0.34) FAAHELANE
SCHEMBL13946840 0.90 ELANE (0.34) FAAHELANE
SCHEMBL5442544 0.89 IDO1 (0.42) IDO1BCL2NAMPTBECN1
SCHEMBL14517846 0.89 ELANE (0.32) FAAHELANE
SCHEMBL13946832 0.88 ELANE (0.34) FAAHELANE
SCHEMBL14517810 0.88 CASP1 (0.35) NAMPTFAAHELANE

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-7205291-B2 High mouth absorption; antibiotics against gramnegative, grampositive bacteria espscially Staphlococcus pneumonia, Hemophilus influenza DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-17 US disclosed