SCHEMBL18654098

SCHEMBL18654098

CC(C)(C(=O)NC1CCCCC1)C(C)(C)C(=O)NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.63
PDK2 Q15119 1/20 0.63
PDK3 Q15120 1/20 0.63
PDK4 Q16654 1/20 0.63
EPHX1 P07099 8/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
EPHX2 P34913 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 2/20 0.47

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
SCHEMBL11989610 0.91 PDK1 (0.59) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL11989611 0.89 PDK1 (0.56) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL9611268 0.86 PDK1 (0.63) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL23481547 0.86 PDK1 (0.63) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL9611267 0.84 ALDH1A1 (0.61) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL942808 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL14243258 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL22110497 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL10172721 0.83 PDK1 (0.70) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL11505319 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4EPHX1

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
US-20170084838-A1 ELECTRONIC DEVICE AND METHOD FOR MANUFACTURING THE SAME Innolux Corporation (TW) 2017-03-23 US disclosed