SCHEMBL9101336

SCHEMBL9101336

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.31
GLA P06280 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
SCHEMBL19946432 0.93 ABCB1 (0.34) ABCB1CYP3A4MAPTSMN1; SMN2HSD17B10
SCHEMBL9903289 0.91 NPC1 (0.35) ABCB1MAPTSMN1; SMN2GAAHTT
SCHEMBL9100735 0.89 PLK1 (0.35) MAPTSMN1; SMN2MAPK1HSD17B10GAA
SCHEMBL19946456 0.83 HSD17B10 (0.36) ABCB1MAPTHSD17B10GAAHTT
SCHEMBL29684694 0.80 ABCB1 (0.39) ABCB1CYP3A4MAPTSMN1; SMN2USP2
SCHEMBL667409 0.80 ABCB1 (0.39) ABCB1CYP3A4MAPTSMN1; SMN2USP2
SCHEMBL12841128 0.78 ABCB1 (0.36) ABCB1CYP3A4MAPTSMN1; SMN2USP2
SCHEMBL17416635 0.78 ABCB1 (0.39) ABCB1CYP3A4MAPTSMN1; SMN2NPC1
SCHEMBL8998876 0.77 ABCB1 (0.57) ABCB1CYP3A4
SCHEMBL2683389 0.77 TAS1R3 (0.37) ABCB1MAPTALDH1A1HPGD

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 3 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-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 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