SCHEMBL1037809

SCHEMBL1037809

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](COS(C)(=O)=O)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
BMP1 P13497 1/20 0.34
THRB P10828 5/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.33
PDE4B Q07343 2/20 0.33
REN P00797 1/20 0.33
LMNA P02545 2/20 0.32
RORC P51449 3/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
TGFBR1 P36897 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
SCHEMBL1039394 0.93 AXL (0.38) AXLMERTKBMP1THRBTP53
SCHEMBL1039437 0.92 AXL (0.36) AXLMERTKBMP1THRBTP53
SCHEMBL1038926 0.92 REN (0.35) THRBTP53MAPTRENLMNA
SCHEMBL1040348 0.92 AXL (0.39) AXLMERTKBMP1THRBTP53
SCHEMBL1038201 0.91 AXL (0.37) AXLMERTKBMP1THRBTP53
SCHEMBL1038353 0.89 AXL (0.40) AXLMERTKBMP1THRBTP53
SCHEMBL1040333 0.88 AXL (0.40) AXLMERTKBMP1THRBTP53
SCHEMBL1039802 0.88 AXL (0.39) AXLMERTKBMP1THRBTP53
SCHEMBL1039532 0.88 AXL (0.36) AXLMERTKBMP1THRBTP53
SCHEMBL1038041 0.88 AXL (0.36) AXLMERTKBMP1THRBTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed