SCHEMBL15580466

SCHEMBL15580466

C=CC(=O)OCCCCCCOc1ccc(CCc2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL13089478 0.95 THRB (0.51) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL1072168 0.95 THRB (0.51) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL17279039 0.95 THRB (0.51) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL25501133 0.94 THRB (0.52) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL14280595 0.94 HTT (0.49) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL12510630 0.94 HTT (0.49) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL223268 0.94 HTT (0.49) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL12768610 0.94 HTT (0.49) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL12794263 0.94 HTT (0.49) THRBSMN1; SMN2NPC1MAPTHTT
SCHEMBL16996738 0.93 HTT (0.44) THRBSMN1; SMN2NPC1MAPTRAB9A

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-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 EP disclosed