SCHEMBL9100735

SCHEMBL9100735

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TP53 P04637 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL9101336 0.89 ABCB1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9102042 0.87 PLK1 (0.38) PLK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21218965 0.86 PLK1 (0.32) PLK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17025770 0.82 ABCB1 (0.40) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL19946432 0.82 ABCB1 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29684841 0.81 PLK1 (0.37) PLK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL667482 0.81 PLK1 (0.37) PLK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9903289 0.81 NPC1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5057465 0.79 ABCB1 (0.48) PLK1SMN1; SMN2HPGD
SCHEMBL667491 0.78 PLK1 (0.35) PLK1NPC1RAB9ASMN1; SMN2ALDH1A1

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-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
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