SCHEMBL18012735

SCHEMBL18012735

CCC1(CC)c2ccccc2-c2ccc(/C(=N\OC(C)=O)C(C)/C(C)=N/OC(C)=O)cc21

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
▸ APEX1 P27695 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
SCHEMBL18012746 0.91 SMN1; SMN2 (0.37) PDK2
SCHEMBL18012736 0.86 PDK2 (0.38) PDK2
SCHEMBL18012705 0.83 PDK2 (0.35) PDK2HTR7HTR2B
SCHEMBL18012702 0.82 PDK2 (0.34) PDK2HTR7HTR2B
SCHEMBL18235843 0.81 PDK2 (0.39) PDK2HTR7HTR2BAPEX1
SCHEMBL18222911 0.81 PDK2 (0.39) PDK2HTR7HTR2BAPEX1
SCHEMBL20032518 0.81 PDK2 (0.39) PDK2HTR7HTR2BAPEX1
SCHEMBL18012754 0.80 PDK2 (0.38) PDK2HTR7HTR2BAPEX1
SCHEMBL18012750 0.80 PDK2 (0.34) PDK2HTR7HTR2B
SCHEMBL18012812 0.79 — —

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