SCHEMBL1039437

SCHEMBL1039437

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
THRB P10828 5/20 0.34
TP53 P04637 4/20 0.34
MAPT P10636 4/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
RORC P51449 4/20 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
BMP1 P13497 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 1/20 0.31
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
REN P00797 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
SCHEMBL3942761 0.92 RORC (0.34) THRBTP53MAPTPIK3CDPIK3CA
SCHEMBL1039307 0.92 AXL (0.36) AXLMERTKTHRBTP53MAPT
SCHEMBL1040506 0.92 AXL (0.38) AXLMERTKTHRBTP53MAPT
SCHEMBL1037809 0.92 AXL (0.37) AXLMERTKTHRBTP53MAPT
SCHEMBL1039394 0.89 AXL (0.38) AXLMERTKTHRBTP53MAPT
SCHEMBL1040348 0.87 AXL (0.39) AXLMERTKTHRBTP53MAPT
SCHEMBL1039532 0.86 AXL (0.36) AXLMERTKTHRBTP53MAPT
SCHEMBL1038041 0.85 AXL (0.36) AXLMERTKTHRBTP53MAPT
SCHEMBL1038201 0.85 AXL (0.37) AXLMERTKTHRBTP53MAPT
SCHEMBL3950587 0.85 RORC (0.32) THRBTP53MAPTRORCALDH1A1

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