SCHEMBL11468691

SCHEMBL11468691

CN1C(C)(C)CC2(CC1(C)C)OCC(COC(=O)c1ccc(C(C)(C)C)cc1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HTR7 P34969 1/20 0.36
NPC1 O15118 1/20 0.36
BCHE P06276 2/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA5 P30532 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.33
GRIN2B Q13224 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
F2 P00734 1/20 0.33
ALOX15 P16050 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL11450306 0.87 NPC1 (0.48) POLBNPC1CHRNB2CHRNA7CHRNA4
SCHEMBL11467404 0.85 GAA (0.39) POLBHTR7NPC1CHRNB2CHRNA7
SCHEMBL11449160 0.81 HTR7 (0.34) POLBHTR7NPC1MEN1KMT2A
SCHEMBL4983482 0.80 HTR7 (0.37) POLBHTR7NPC1CHRNB2CHRNA7
SCHEMBL11449337 0.78 PDK1 (0.35) ALDH1A1
SCHEMBL11467326 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11449793 0.77 NPC1 (0.45) POLBNPC1CHRNB2CHRNA7CHRNA4
SCHEMBL25702381 0.76 HTR7 (0.36) POLBHTR7NPC1CHRNB2CHRNA7
SCHEMBL11468678 0.76 MEN1 (0.37) POLBBCHEMEN1KMT2AALDH1A1
SCHEMBL3240666 0.75 MAPT (0.45) POLBMEN1KMT2AALDH1A1HPGD

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
US-4212974-A POLYMER STABILIZERS SANKYO COMPANY LIMITED (JP) 1980-07-15 US disclosed