SCHEMBL4055983

SCHEMBL4055983

COCCCc1nn(C)c2ccc(C[C@@H](C[C@H](NC(=O)O)[C@@H]3C[C@@H](C(C)C)C(=O)O3)C(C)C)cc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.32
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL4055979 1.00 REN (0.32) RENMAPK8MAPK9MAPK10
SCHEMBL4047155 0.86 REN (0.35) REN
SCHEMBL4047158 0.86 REN (0.35) REN
SCHEMBL4531150 0.85 REN (0.30) REN
SCHEMBL4531156 0.85 REN (0.30) REN
SCHEMBL4054559 0.84 REN (0.40) REN
SCHEMBL4054558 0.84 REN (0.40) REN
SCHEMBL4050700 0.82 REN (0.33) REN
SCHEMBL4050697 0.82 REN (0.33) REN
SCHEMBL3779505 0.81 MAPK1 (0.40) 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