SCHEMBL18012776

SCHEMBL18012776

CC/C(=N\OC(C)=O)c1ccc2c(c1)C(CC)(CC)c1cc(/C(CC)=N/OC(C)=O)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PDK2 Q15119 6/20 0.32
▸ HTR7 P34969 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CYP26A1 O43174 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP26B1 Q9NR63 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
SCHEMBL18012829 0.90 CA2 (0.36) PKMMAPTNPSR1THRBL3MBTL1
SCHEMBL18012775 0.88 PKM (0.41) PKMMAPTNPSR1THRBL3MBTL1
SCHEMBL18012818 0.87 PKM (0.37) PKMMAPTNPSR1THRBL3MBTL1
SCHEMBL18012642 0.86 RAB9A (0.39) PKMMAPTMEN1KMT2APDK2
SCHEMBL18012767 0.85 PKM (0.33) PKMMAPTNPSR1THRBL3MBTL1
SCHEMBL18012627 0.84 PKM (0.34) PKMMAPTL3MBTL1GAAMEN1
SCHEMBL18012814 0.84 MAPT (0.38) PKMMAPTL3MBTL1KMT2APDK2
SCHEMBL18012745 0.83 PDK2 (0.38) PKMPDK2HTR7HTR2B
SCHEMBL18012737 0.83 PDK2 (0.38) PKMPDK2HTR7HTR2B
SCHEMBL18012774 0.83 RAB9A (0.35) PKMMAPTMEN1KMT2APDK2

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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