SCHEMBL1040348

SCHEMBL1040348

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
PDE4B Q07343 2/20 0.35
THRB P10828 5/20 0.35
TP53 P04637 3/20 0.35
REN P00797 1/20 0.35
MAPT P10636 4/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
BMP1 P13497 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL1040426 0.93 REN (0.35) AXLMERTKPDE4BRENUSP30
SCHEMBL1039802 0.93 AXL (0.39) AXLMERTKTHRBTP53REN
SCHEMBL1038353 0.92 AXL (0.40) AXLMERTKTHRBTP53REN
SCHEMBL1040506 0.92 AXL (0.38) AXLMERTKTHRBTP53REN
SCHEMBL1037809 0.92 AXL (0.37) AXLMERTKPDE4BTHRBTP53
SCHEMBL1038201 0.91 AXL (0.37) AXLMERTKPDE4BTHRBTP53
SCHEMBL1036492 0.91 REN (0.37) THRBTP53RENMAPTCYP3A4
SCHEMBL3912017 0.91 REN (0.37) THRBTP53RENMAPTCYP3A4
SCHEMBL1039408 0.90 AXL (0.39) AXLMERTKPDE4BTHRBTP53
SCHEMBL1040333 0.90 AXL (0.40) AXLMERTKTHRBTP53REN

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