SCHEMBL1040333

SCHEMBL1040333

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](OC[C@H]4CO4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.40
MERTK Q12866 1/20 0.40
THRB P10828 5/20 0.36
TP53 P04637 4/20 0.36
MAPT P10636 5/20 0.36
REN P00797 1/20 0.35
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
BMP1 P13497 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
PIK3CA P42336 1/20 0.31
ESR1 P03372 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
SCHEMBL1039802 0.92 AXL (0.39) AXLMERTKTHRBTP53MAPT
SCHEMBL1038353 0.91 AXL (0.40) AXLMERTKTHRBTP53MAPT
SCHEMBL1040340 0.91 REN (0.37) THRBTP53MAPTRENCYP3A4
SCHEMBL1039349 0.91 AXL (0.39) AXLMERTKTHRBTP53MAPT
SCHEMBL1039408 0.91 AXL (0.39) AXLMERTKTHRBTP53MAPT
SCHEMBL1040348 0.90 AXL (0.39) AXLMERTKTHRBTP53MAPT
SCHEMBL3908978 0.90 MMP9 (0.35) THRBTP53RENBMP1
SCHEMBL1040042 0.90 AXL (0.38) AXLMERTKTHRBTP53MAPT
SCHEMBL1039332 0.90 MMP9 (0.35) THRBTP53RENBMP1
SCHEMBL1039394 0.89 AXL (0.38) AXLMERTKTHRBTP53MAPT

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