SCHEMBL4056362

SCHEMBL4056362

COCCCn1cc(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)cc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.40
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL4056360 1.00 REN (0.40) RENCNR2CNR1PDE4APDE4B
SCHEMBL3465606 0.88 REN (0.41) REN
SCHEMBL4054558 0.86 REN (0.40) REN
SCHEMBL4054559 0.86 REN (0.40) REN
SCHEMBL4531037 0.85 REN (0.38) REN
SCHEMBL4531041 0.85 REN (0.38) REN
SCHEMBL3779505 0.84 MAPK1 (0.40) REN
SCHEMBL3779502 0.84 MAPK1 (0.40) REN
SCHEMBL4047158 0.83 REN (0.35) REN
SCHEMBL4047155 0.83 REN (0.35) 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