SCHEMBL17416637

SCHEMBL17416637

CCCC(N(NC(=O)c1cc(OC)c(C)c(OC)c1)C(=O)c1ccc2c(c1C)OCCO2)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
NPC1 O15118 8/20 0.37
RAB9A P51151 7/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
TP53 P04637 5/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MCHR1 Q99705 2/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3A P31941 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
SCHEMBL17025751 0.94 PLK1 (0.41) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL667440 0.93 PLK1 (0.37) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29684483 0.93 PLK1 (0.37) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9903268 0.90 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL667491 0.88 PLK1 (0.35) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29684619 0.88 PLK1 (0.35) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL667456 0.87 PLK1 (0.39) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29684822 0.87 PLK1 (0.39) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17416643 0.84 PLK1 (0.36) PLK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18091873 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTTP53

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 disclosed