SCHEMBL4050700

SCHEMBL4050700

COCCCc1coc2ccc(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 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.33
MTNR1A P48039 8/20 0.32
MTNR1B P49286 5/20 0.32
NQO2 P16083 4/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL4050697 1.00 REN (0.33) RENMTNR1AMTNR1BNQO2MAPT
SCHEMBL4047158 0.85 REN (0.35) RENMTNR1AMTNR1BNQO2
SCHEMBL4047155 0.85 REN (0.35) RENMTNR1AMTNR1BNQO2
SCHEMBL4526046 0.84 REN (0.31) REN
SCHEMBL4526043 0.84 REN (0.31) REN
SCHEMBL4055983 0.82 REN (0.32) REN
SCHEMBL4055979 0.82 REN (0.32) REN
SCHEMBL4640296 0.82 REN (0.42) REN
SCHEMBL12503115 0.81 REN (0.48) REN
SCHEMBL4048454 0.81 REN (0.48) 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