SCHEMBL4051083

SCHEMBL4051083

COCCCOc1cc(C[C@@H](C[C@H](NC(=O)O)[C@@H](O)C[C@H](C(=O)NC2CCC(O[N+](=O)[O-])CC2)C(C)C)C(C)C)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.53

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
SCHEMBL4051079 1.00 REN (0.53) REN
SCHEMBL4532035 0.90 REN (0.65) REN
SCHEMBL4533885 0.86 REN (0.53) REN
SCHEMBL4533893 0.86 REN (0.53) REN
SCHEMBL4533889 0.86 REN (0.53) REN
SCHEMBL4050036 0.83 REN (0.64) REN
SCHEMBL4050034 0.83 REN (0.64) REN
SCHEMBL4541842 0.83 REN (0.46) REN
SCHEMBL4541844 0.83 REN (0.46) REN
SCHEMBL4640274 0.82 REN (0.51) 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