SCHEMBL18012767

SCHEMBL18012767

CC/C(=N\OC(C)=O)c1ccc2c(c1)C(CC)(CC)c1cc(/C(CC)=N/OC(C)=O)cc(C#N)c1-2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18012776 0.85 PKM (0.40) PKMPDK2MAPTNPSR1THRB
SCHEMBL18012717 0.85 PDK2 (0.32) PDK2ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL18673349 0.85 ALK (0.32) PKM
SCHEMBL18012766 0.83 GAA (0.38) PDK2
SCHEMBL18012627 0.80 PKM (0.34) PKMALDH1A1HPGDMAPTL3MBTL1
SCHEMBL18012722 0.80 PDK2 (0.36) PDK2ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL18012829 0.77 CA2 (0.36) PKMMAPTNPSR1THRBL3MBTL1
SCHEMBL18012723 0.76 POLB (0.38) PDK2ALDH1A1HPGDMAPT
SCHEMBL18012775 0.75 PKM (0.41) PKMPDK2MAPTNPSR1THRB
SCHEMBL18012818 0.74 PKM (0.37) PKMPDK2MAPTNPSR1THRB

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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