SCHEMBL18012707

SCHEMBL18012707

CCC(=O)O/N=C(\C)C/C(=N\OC(=O)CC)c1ccc2c(c1)C(CC)(CC)c1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 17/20 0.36
▸ HTR7 P34969 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18012745 0.91 PDK2 (0.38) PDK2HTR7HTR2B
SCHEMBL18012737 0.91 PDK2 (0.38) PDK2HTR7HTR2B
SCHEMBL18012732 0.88 SMN1; SMN2 (0.38) PDK2
SCHEMBL20032516 0.84 PDK2 (0.38) PDK2HTR7HTR2B
SCHEMBL18235845 0.84 PDK2 (0.38) PDK2HTR7HTR2B
SCHEMBL18012703 0.83 PDK2 (0.39) PDK2
SCHEMBL18012699 0.82 PDK2 (0.36) PDK2HTR7HTR2B
SCHEMBL18012826 0.80 PDK2 (0.39) PDK2HTR7HTR2B
SCHEMBL18012704 0.79 SMN1; SMN2 (0.38) PDK2
SCHEMBL18235852 0.79 PDK2 (0.35) PDK2

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
WO-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
Send feedback