SCHEMBL9102042

SCHEMBL9102042

CCc1c(C(=O)N(NC(C)(C)C)C(=O)c2cc(OC)c(C)c(OC)c2)ccc2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.38
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 2/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
GLA P06280 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 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
SCHEMBL9100735 0.87 PLK1 (0.35) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9236827 0.86 CTNNB1 (0.48) NPC1RAB9AMAPTSMN1; SMN2CTNNB1
SCHEMBL9905363 0.85 PLK1 (0.40) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21218965 0.83 PLK1 (0.32) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5057465 0.83 ABCB1 (0.48) PLK1SMN1; SMN2
SCHEMBL667482 0.80 PLK1 (0.37) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29684841 0.80 PLK1 (0.37) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17416601 0.80 PLK1 (0.38) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17416611 0.79 NR1H2 (0.35) NPC1RAB9AMAPTSMN1; SMN2CTNNB1
SCHEMBL9104632 0.78 NPC1 (0.39) NPC1RAB9AMEN1KMT2ARXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed