SCHEMBL4047158

SCHEMBL4047158

COCCCc1cn(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 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SPR P35270 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TP53 P04637 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
SCHEMBL4047155 1.00 REN (0.35) RENKDM4EHPGDHSD17B10SPR
SCHEMBL3772836 0.91 REN (0.33) RENKDM4EHPGDHSD17B10SPR
SCHEMBL1051996 0.88 KDM4E (0.36) RENKDM4EHPGDHSD17B10SPR
SCHEMBL3770013 0.87 REN (0.36) REN
SCHEMBL4055979 0.86 REN (0.32) REN
SCHEMBL4055983 0.86 REN (0.32) REN
SCHEMBL4050700 0.85 REN (0.33) RENNQO2MTNR1AMTNR1B
SCHEMBL4050697 0.85 REN (0.33) RENNQO2MTNR1AMTNR1B
SCHEMBL4533875 0.85 REN (0.32) REN
SCHEMBL4533870 0.85 REN (0.32) 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