SCHEMBL18012699

SCHEMBL18012699

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.36
▸ APEX1 P27695 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTR7 P34969 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 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
SCHEMBL18012704 0.91 SMN1; SMN2 (0.38) PDK2APEX1PKMPPARGPPARA
SCHEMBL18012737 0.90 PDK2 (0.38) PDK2APEX1PKMHTR7HTR2B
SCHEMBL18012745 0.90 PDK2 (0.38) PDK2APEX1PKMHTR7HTR2B
SCHEMBL18012698 0.85 PDK2 (0.39) PDK2PKM
SCHEMBL18012826 0.85 PDK2 (0.39) PDK2APEX1PKMHTR7HTR2B
SCHEMBL18012776 0.82 PKM (0.40) PDK2PKMHTR7HTR2B
SCHEMBL18235843 0.82 PDK2 (0.39) PDK2APEX1HTR7HTR2B
SCHEMBL20032518 0.82 PDK2 (0.39) PDK2APEX1HTR7HTR2B
SCHEMBL18222911 0.82 PDK2 (0.39) PDK2APEX1HTR7HTR2B
SCHEMBL18012707 0.82 PDK2 (0.36) PDK2HTR7HTR2B

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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