SCHEMBL17416643

SCHEMBL17416643

CCCC(N(NC(=O)Oc1ccc2c(c1C)OCCO2)C(=O)c1cc(OC)c(C)c(OC)c1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
TP53 P04637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
MTNR1A P48039 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TAS2R8 Q9NYW2 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
SCHEMBL17416622 0.93 PLK1 (0.35) PLK1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17416646 0.92 ABCB1 (0.32) NPC1RAB9AGAAMAPTTP53
SCHEMBL667440 0.87 PLK1 (0.37) PLK1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL29684483 0.87 PLK1 (0.37) PLK1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17416594 0.87 PLK1 (0.36) PLK1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17416589 0.85 MAPT (0.35) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL17416637 0.84 PLK1 (0.39) PLK1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL29684619 0.84 PLK1 (0.35) PLK1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL667491 0.84 PLK1 (0.35) PLK1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17416648 0.83 ABCB1 (0.34) NPC1RAB9AGAAMAPTTP53

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-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP claimed