SCHEMBL17416646

SCHEMBL17416646

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.32
MTNR1A P48039 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL17416589 0.94 MAPT (0.35) ABCB1TP53MAPTRXFP1NPSR1
SCHEMBL17416643 0.92 PLK1 (0.36) MTNR1AHSD17B10TP53MAPTNPSR1
SCHEMBL17416648 0.92 ABCB1 (0.34) ABCB1MTNR1AHSD17B10TP53MAPT
SCHEMBL17416615 0.85 ABCB1 (0.36) ABCB1HSD17B10TP53MAPTRXFP1
SCHEMBL29684859 0.85 ABCB1 (0.36) ABCB1MAPTHPGDNPC1RAB9A
SCHEMBL2683648 0.85 ABCB1 (0.36) ABCB1MAPTHPGDNPC1RAB9A
SCHEMBL668634 0.85 ABCB1 (0.36) ABCB1MAPTHPGDNPC1RAB9A
SCHEMBL17416622 0.84 PLK1 (0.35) MTNR1ATP53MAPTNPC1RAB9A
SCHEMBL9903268 0.81 ALDH1A1 (0.38) ABCB1HSD17B10MAPTHPGDNPC1
SCHEMBL668085 0.80 ABCB1 (0.38) ABCB1MAPTHPGDNPC1RAB9A

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