SCHEMBL4055944

SCHEMBL4055944

COCCCCc1cc(C[C@@H](C[C@H](NC(=O)O)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)cnc1OC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.35

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
SCHEMBL4055940 1.00 REN (0.35) REN
SCHEMBL4047532 0.89 REN (0.37) REN
SCHEMBL4047536 0.89 REN (0.37) REN
SCHEMBL3468906 0.86 REN (0.31) REN
SCHEMBL4532580 0.84 REN (0.33) REN
SCHEMBL4532575 0.84 REN (0.33) REN
SCHEMBL14655570 0.81 REN (0.48) REN
SCHEMBL4048454 0.81 REN (0.48) REN
SCHEMBL12503115 0.81 REN (0.48) REN
SCHEMBL4640296 0.80 REN (0.42) 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