SCHEMBL18012754

SCHEMBL18012754

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.38
▸ HTR7 P34969 3/20 0.34
▸ HTR2B P41595 3/20 0.34
▸ APEX1 P27695 1/20 0.33

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
SCHEMBL18012646 0.94 PKM (0.34) PDK2HTR7HTR2B
SCHEMBL18012801 0.90 SMN1; SMN2 (0.40) PDK2APEX1
SCHEMBL18235843 0.89 PDK2 (0.39) PDK2HTR7HTR2BAPEX1
SCHEMBL18222911 0.89 PDK2 (0.39) PDK2HTR7HTR2BAPEX1
SCHEMBL20032518 0.89 PDK2 (0.39) PDK2HTR7HTR2BAPEX1
SCHEMBL18012759 0.86 SMN1; SMN2 (0.42) —
SCHEMBL18012802 0.85 PDK2 (0.41) PDK2HTR7HTR2B
SCHEMBL18012762 0.83 ALDH1A1 (0.30) —
SCHEMBL18012814 0.83 MAPT (0.38) PDK2HTR7HTR2B
SCHEMBL18012825 0.82 PDK2 (0.32) 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
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