SCHEMBL4050036

SCHEMBL4050036

COCCCOc1cc(C[C@@H](C[C@H](NC(=O)O)[C@@H](O)C[C@H](C(=O)NCCO[N+](=O)[O-])C(C)C)C(C)C)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.64

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
SCHEMBL4050034 1.00 REN (0.64) REN
SCHEMBL4533906 0.86 REN (0.59) REN
SCHEMBL4533900 0.86 REN (0.59) REN
SCHEMBL4533903 0.86 REN (0.59) REN
SCHEMBL4958213 0.85 REN (0.55) REN
SCHEMBL4057660 0.85 REN (0.54) REN
SCHEMBL4959958 0.84 REN (0.54) REN
SCHEMBL4896470 0.84 REN (0.59) REN
SCHEMBL4542653 0.84 REN (0.81) REN
SCHEMBL16371079 0.84 REN (0.81) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO disclosed